Benzene and substituted derivatives

Benzene is an aromatic organic molecule composed of six carbon atoms and six hydrogen atoms that form a ring. Includes substituted derivative compounds.

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1,006 – 1,020 of 119,426 results

1,006

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Ethyl 3-aminobenzoate, 99+%

CAS: 582-33-2 Molecular Formula: C₉H₁₁NO₂ Molecular Weight (g/mol): 165.19 MDL Number: MFCD00007794 InChI Key: ZMCBYSBVJIMENC-UHFFFAOYSA-N Synonym: 3-aminobenzoic acid ethyl ester,m-ethoxycarbonylaniline,3-ethoxycarbonyl aniline,ethyl m-aminobenzoate,benzoic acid, 3-amino-, ethyl ester,m-aminobenzoic acid, ethyl ester,m-aminobenzoate,metacaine,3-amino-benzoic acid ethyl ester,benzoic acid, m-amino-, ethyl ester PubChem CID: 11400 ChEBI: CHEBI:81494 IUPAC Name: ethyl 3-aminobenzoate SMILES: CCOC(=O)C1=CC(=CC=C1)N

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Specifications

PubChem CID	11400
CAS	582-33-2
Molecular Weight (g/mol)	165.19
ChEBI	CHEBI:81494
MDL Number	MFCD00007794
SMILES	CCOC(=O)C1=CC(=CC=C1)N
Synonym	3-aminobenzoic acid ethyl ester,m-ethoxycarbonylaniline,3-ethoxycarbonyl aniline,ethyl m-aminobenzoate,benzoic acid, 3-amino-, ethyl ester,m-aminobenzoic acid, ethyl ester,m-aminobenzoate,metacaine,3-amino-benzoic acid ethyl ester,benzoic acid, m-amino-, ethyl ester
IUPAC Name	ethyl 3-aminobenzoate
InChI Key	ZMCBYSBVJIMENC-UHFFFAOYSA-N
Molecular Formula	C₉H₁₁NO₂

1,007

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Diallyl phthalate, 98%

CAS: 131-17-9 Molecular Formula: C₁₄H₁₄O₄ Molecular Weight (g/mol): 246.26 MDL Number: MFCD00008646 InChI Key: QUDWYFHPNIMBFC-UHFFFAOYSA-N Synonym: diallyl phthalate,allyl phthalate,diallylphthalate,dapon r,phthalic acid diallyl ester,dapon 35,phthalic acid, diallyl ester,o-phthalic acid, diallyl ester,1,2-benzenedicarboxylic acid, di-2-propenyl ester,unii-f79l0ul6st PubChem CID: 8560 IUPAC Name: bis(prop-2-enyl) benzene-1,2-dicarboxylate SMILES: C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C

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Specifications

PubChem CID	8560
CAS	131-17-9
Molecular Weight (g/mol)	246.26
MDL Number	MFCD00008646
SMILES	C=CCOC(=O)C1=CC=CC=C1C(=O)OCC=C
Synonym	diallyl phthalate,allyl phthalate,diallylphthalate,dapon r,phthalic acid diallyl ester,dapon 35,phthalic acid, diallyl ester,o-phthalic acid, diallyl ester,1,2-benzenedicarboxylic acid, di-2-propenyl ester,unii-f79l0ul6st
IUPAC Name	bis(prop-2-enyl) benzene-1,2-dicarboxylate
InChI Key	QUDWYFHPNIMBFC-UHFFFAOYSA-N
Molecular Formula	C₁₄H₁₄O₄

1,008

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2-Cyanobenzoic acid, 94%

CAS: 3839-22-3 Molecular Formula: C8H5NO2 Molecular Weight (g/mol): 147.133 MDL Number: MFCD00045796 InChI Key: DTNSDCJFTHMDAK-UHFFFAOYSA-N Synonym: o-cyanobenzoic acid,cyanobenzoic acid,benzoic acid, 2-cyano,2-carboxybenzonitrile,2-carboxy-benzonitrile,2-cyanobenzoicacid,2-cyano-benzoic acid,pubchem12513,acmc-1bn2v PubChem CID: 138061 IUPAC Name: 2-cyanobenzoic acid SMILES: C1=CC=C(C(=C1)C#N)C(=O)O

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Specifications

PubChem CID	138061
CAS	3839-22-3
Molecular Weight (g/mol)	147.133
MDL Number	MFCD00045796
SMILES	C1=CC=C(C(=C1)C#N)C(=O)O
Synonym	o-cyanobenzoic acid,cyanobenzoic acid,benzoic acid, 2-cyano,2-carboxybenzonitrile,2-carboxy-benzonitrile,2-cyanobenzoicacid,2-cyano-benzoic acid,pubchem12513,acmc-1bn2v
IUPAC Name	2-cyanobenzoic acid
InChI Key	DTNSDCJFTHMDAK-UHFFFAOYSA-N
Molecular Formula	C8H5NO2

1,009

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Didecyl phthalate, 95%

CAS: 84-77-5 Molecular Formula: C28H46O4 Molecular Weight (g/mol): 446.67 MDL Number: MFCD00041915 InChI Key: PGIBJVOPLXHHGS-UHFFFAOYSA-N Synonym: didecyl phthalate,decyl phthalate,di-n-decyl phthalate,vinicizer 105,phthalic acid, didecyl ester,vinysize 105,1,2-benzenedicarboxylic acid, didecyl ester,bis n-decyl phthalate,didecyl 1,2-benzenedicarboxylate,unii-fi5fbn947z PubChem CID: 6788 ChEBI: CHEBI:34676 IUPAC Name: didecyl benzene-1,2-dicarboxylate SMILES: CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC

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Specifications

PubChem CID	6788
CAS	84-77-5
Molecular Weight (g/mol)	446.67
ChEBI	CHEBI:34676
MDL Number	MFCD00041915
SMILES	CCCCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCCCC
Synonym	didecyl phthalate,decyl phthalate,di-n-decyl phthalate,vinicizer 105,phthalic acid, didecyl ester,vinysize 105,1,2-benzenedicarboxylic acid, didecyl ester,bis n-decyl phthalate,didecyl 1,2-benzenedicarboxylate,unii-fi5fbn947z
IUPAC Name	didecyl benzene-1,2-dicarboxylate
InChI Key	PGIBJVOPLXHHGS-UHFFFAOYSA-N
Molecular Formula	C28H46O4

1,010

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4-Dimethylaminobenzaldehyde, 98%, Thermo Scientific Chemicals

CAS: 100-10-7 Molecular Formula: C9H11NO Molecular Weight (g/mol): 149.19 MDL Number: MFCD00003381 InChI Key: BGNGWHSBYQYVRX-UHFFFAOYSA-N Synonym: 4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal PubChem CID: 7479 IUPAC Name: 4-(dimethylamino)benzaldehyde SMILES: CN(C)C1=CC=C(C=O)C=C1

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Specifications

PubChem CID	7479
CAS	100-10-7
Molecular Weight (g/mol)	149.19
MDL Number	MFCD00003381
SMILES	CN(C)C1=CC=C(C=O)C=C1
Synonym	4-dimethylamino benzaldehyde,p-dimethylaminobenzaldehyde,ehrlich's reagent,p-formyldimethylaniline,benzaldehyde, 4-dimethylamino,p-dimethylamino benzaldehyde,p-formyl-n,n-dimethylaniline,n,n-dimethyl-p-aminobenzaldehyde,p-n,n-dimethylamino benzaldehyde,4-dimethylaminobenzenecarbonal
IUPAC Name	4-(dimethylamino)benzaldehyde
InChI Key	BGNGWHSBYQYVRX-UHFFFAOYSA-N
Molecular Formula	C9H11NO

1,011

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4-Acetamidobenzoic acid, 99+%

CAS: 556-08-1 Molecular Formula: C₉H₉NO₃ Molecular Weight (g/mol): 179.17 MDL Number: MFCD00002534 InChI Key: QCXJEYYXVJIFCE-UHFFFAOYSA-N Synonym: acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid PubChem CID: 19266 ChEBI: CHEBI:46171 IUPAC Name: 4-acetamidobenzoic acid SMILES: CC(=O)NC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	19266
CAS	556-08-1
Molecular Weight (g/mol)	179.17
ChEBI	CHEBI:46171
MDL Number	MFCD00002534
SMILES	CC(=O)NC1=CC=C(C=C1)C(=O)O
Synonym	acedoben,p-acetamidobenzoic acid,4-acetylamino benzoic acid,4-carboxyacetanilide,4-acetylaminobenzoic acid,benzoic acid, 4-acetylamino,p-acetylamino benzoic acid,p-acetoaminobenzoic acid,p-acetaminobenzoic acid,n-acetyl-p-aminobenzoic acid
IUPAC Name	4-acetamidobenzoic acid
InChI Key	QCXJEYYXVJIFCE-UHFFFAOYSA-N
Molecular Formula	C₉H₉NO₃

1,012

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Ethyl o-toluate, 98+%

CAS: 87-24-1 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.204 MDL Number: MFCD00009112 InChI Key: SOUAXOGPALPTTC-UHFFFAOYSA-N Synonym: ethyl o-toluate,ethyl o-methylbenzoate,ethyl orthotoluate,2-methylbenzoic acid ethyl ester,benzoic acid, 2-methyl-, ethyl ester,ethyl-o-toluate,2-methyl-benzoic acid ethyl ester,o-toluic acid ethyl ester,ethyl-2-methylbenzoate,ethylo-toluate PubChem CID: 66598 IUPAC Name: ethyl 2-methylbenzoate SMILES: CCOC(=O)C1=CC=CC=C1C

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Specifications

PubChem CID	66598
CAS	87-24-1
Molecular Weight (g/mol)	164.204
MDL Number	MFCD00009112
SMILES	CCOC(=O)C1=CC=CC=C1C
Synonym	ethyl o-toluate,ethyl o-methylbenzoate,ethyl orthotoluate,2-methylbenzoic acid ethyl ester,benzoic acid, 2-methyl-, ethyl ester,ethyl-o-toluate,2-methyl-benzoic acid ethyl ester,o-toluic acid ethyl ester,ethyl-2-methylbenzoate,ethylo-toluate
IUPAC Name	ethyl 2-methylbenzoate
InChI Key	SOUAXOGPALPTTC-UHFFFAOYSA-N
Molecular Formula	C10H12O2

1,013

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Ethyl phenylglyoxylate, 98%

CAS: 1603-79-8 Molecular Formula: C10H10O3 Molecular Weight (g/mol): 178.19 MDL Number: MFCD00009120 InChI Key: QKLCQKPAECHXCQ-UHFFFAOYSA-N Synonym: ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester PubChem CID: 15349 ChEBI: CHEBI:84260 IUPAC Name: ethyl 2-oxo-2-phenylacetate SMILES: CCOC(=O)C(=O)C1=CC=CC=C1

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Specifications

PubChem CID	15349
CAS	1603-79-8
Molecular Weight (g/mol)	178.19
ChEBI	CHEBI:84260
MDL Number	MFCD00009120
SMILES	CCOC(=O)C(=O)C1=CC=CC=C1
Synonym	ethyl benzoylformate,ethyl phenylglyoxylate,ethyl oxophenylacetate,ethylbenzoylformate,phenylglyoxylic acid ethyl ester,ethyl oxo phenyl acetate,benzeneacetic acid, .alpha.-oxo-, ethyl ester,benzoylformic acid ethyl ester,ethyl benzoyl formate,glyoxylic acid, phenyl-, ethyl ester
IUPAC Name	ethyl 2-oxo-2-phenylacetate
InChI Key	QKLCQKPAECHXCQ-UHFFFAOYSA-N
Molecular Formula	C10H10O3

1,014

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3,5-Difluorobenzaldehyde, 98+%

CAS: 32085-88-4 Molecular Formula: C₇H₄F₂O Molecular Weight (g/mol): 142.1 MDL Number: MFCD00010329 InChI Key: ASOFZHSTJHGQDT-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone PubChem CID: 588160 IUPAC Name: 3,5-difluorobenzaldehyde SMILES: C1=C(C=C(C=C1F)F)C=O

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Specifications

PubChem CID	588160
CAS	32085-88-4
Molecular Weight (g/mol)	142.1
MDL Number	MFCD00010329
SMILES	C1=C(C=C(C=C1F)F)C=O
Synonym	benzaldehyde, 3,5-difluoro,3,5-difluoro-benzaldehyde,pubchem1414,3,5difluorobenzaldehyde,acmc-1aewe,3,5-diflourobenzaldehyde,3-5-difluorobenzaldehyde,3, 5-difluorobenzaldehyde,ksc224o7p,3,5-difluorophenyl methanone
IUPAC Name	3,5-difluorobenzaldehyde
InChI Key	ASOFZHSTJHGQDT-UHFFFAOYSA-N
Molecular Formula	C₇H₄F₂O

1,015

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4-[(Trimethylsilyl)ethynyl]benzaldehyde, 97%

CAS: 77123-57-0 Molecular Formula: C12H14OSi Molecular Weight (g/mol): 202.33 MDL Number: MFCD02093765 InChI Key: UZQDUXAJFTWMDT-UHFFFAOYSA-N Synonym: 4-trimethylsilyl ethynyl benzaldehyde,4-trimethylsilyl ethynylbenzaldehyde,4-2-trimethylsilylethynyl benzaldehyde,4-2-trimethylsilyl ethynyl benzaldehyde,benzaldehyde, 4-trimethylsilyl ethynyl,acmc-1bios,p-trimethylsilylethynylbenzaldehyde,4-trimethylsilylethynylbenzaldehyde PubChem CID: 2771643 IUPAC Name: 4-(2-trimethylsilylethynyl)benzaldehyde SMILES: C[Si](C)(C)C#CC1=CC=C(C=O)C=C1

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Specifications

PubChem CID	2771643
CAS	77123-57-0
Molecular Weight (g/mol)	202.33
MDL Number	MFCD02093765
SMILES	C[Si](C)(C)C#CC1=CC=C(C=O)C=C1
Synonym	4-trimethylsilyl ethynyl benzaldehyde,4-trimethylsilyl ethynylbenzaldehyde,4-2-trimethylsilylethynyl benzaldehyde,4-2-trimethylsilyl ethynyl benzaldehyde,benzaldehyde, 4-trimethylsilyl ethynyl,acmc-1bios,p-trimethylsilylethynylbenzaldehyde,4-trimethylsilylethynylbenzaldehyde
IUPAC Name	4-(2-trimethylsilylethynyl)benzaldehyde
InChI Key	UZQDUXAJFTWMDT-UHFFFAOYSA-N
Molecular Formula	C12H14OSi

1,016

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5-Cyano-2-methoxybenzaldehyde, 97%

CAS: 21962-53-8 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD13195275 InChI Key: HJDXZGCTGAWUFZ-UHFFFAOYSA-N Synonym: 5-cyano-2-methoxybenzaldehyde,3-formyl-4-methoxy-benzonitrile,3-cyano6-methoxybenzaldehyde,5-cyano-2-methoxy benzaldehyde PubChem CID: 10241098 IUPAC Name: 3-formyl-4-methoxybenzonitrile SMILES: COC1=C(C=C(C=C1)C#N)C=O

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Specifications

PubChem CID	10241098
CAS	21962-53-8
Molecular Weight (g/mol)	161.16
MDL Number	MFCD13195275
SMILES	COC1=C(C=C(C=C1)C#N)C=O
Synonym	5-cyano-2-methoxybenzaldehyde,3-formyl-4-methoxy-benzonitrile,3-cyano6-methoxybenzaldehyde,5-cyano-2-methoxy benzaldehyde
IUPAC Name	3-formyl-4-methoxybenzonitrile
InChI Key	HJDXZGCTGAWUFZ-UHFFFAOYSA-N
Molecular Formula	C9H7NO2

1,017

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4-Ethylbenzoic acid, 99%

CAS: 619-64-7 Molecular Formula: C9H10O2 Molecular Weight (g/mol): 150.177 MDL Number: MFCD00002570 InChI Key: ZQVKTHRQIXSMGY-UHFFFAOYSA-N Synonym: benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid; PubChem CID: 12086 IUPAC Name: 4-ethylbenzoic acid SMILES: CCC1=CC=C(C=C1)C(=O)O

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Specifications

PubChem CID	12086
CAS	619-64-7
Molecular Weight (g/mol)	150.177
MDL Number	MFCD00002570
SMILES	CCC1=CC=C(C=C1)C(=O)O
Synonym	benzoic acid, 4-ethyl,p-ethylbenzoic acid,4-ethyl benzoic acid,4-ethyl-benzoic acid,unii-9tkm8p0g6r,9tkm8p0g6r,p-ethylbenzoate,4-ethyl benzoate,4-ethylbenzoicacid,p-ethylbenzoic acid;
IUPAC Name	4-ethylbenzoic acid
InChI Key	ZQVKTHRQIXSMGY-UHFFFAOYSA-N
Molecular Formula	C9H10O2

1,018

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2,3,4-Trimethoxybenzaldehyde, 98+%

CAS: 2103-57-3 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00003310 InChI Key: UCTUXUGXIFRVGX-UHFFFAOYSA-N Synonym: trimethoxybenzaldehyde,benzaldehyde, 2,3,4-trimethoxy,2,3,4-trimethoxy-benzaldehyde,benzaldehyde, trimethoxy,2,3,4 trimethoxybenzylaldehyde,pubchem8261,trimethoxy benzaldehyde,trimetazidine impurity c,acmc-1b07v,ksc201q5r PubChem CID: 75006 IUPAC Name: 2,3,4-trimethoxybenzaldehyde SMILES: COC1=C(C(=C(C=C1)C=O)OC)OC

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Specifications

PubChem CID	75006
CAS	2103-57-3
Molecular Weight (g/mol)	196.202
MDL Number	MFCD00003310
SMILES	COC1=C(C(=C(C=C1)C=O)OC)OC
Synonym	trimethoxybenzaldehyde,benzaldehyde, 2,3,4-trimethoxy,2,3,4-trimethoxy-benzaldehyde,benzaldehyde, trimethoxy,2,3,4 trimethoxybenzylaldehyde,pubchem8261,trimethoxy benzaldehyde,trimetazidine impurity c,acmc-1b07v,ksc201q5r
IUPAC Name	2,3,4-trimethoxybenzaldehyde
InChI Key	UCTUXUGXIFRVGX-UHFFFAOYSA-N
Molecular Formula	C10H12O4

1,019

4-(1,3-Thiazol-2-yl)benzoic acid, 97%, Thermo Scientific™

CAS: 266369-49-7 Molecular Formula: C10H7NO2S Molecular Weight (g/mol): 205.231 MDL Number: MFCD08275675 InChI Key: NCAPRAZCSUNRLM-UHFFFAOYSA-N Synonym: 4-1,3-thiazol-2-yl benzoic acid,4-thiazol-2-yl benzoic acid,4-2-thiazolyl benzoic acid,4-thiazol-2-yl benzoicacid,benzoic acid,4-2-thiazolyl PubChem CID: 23510471 IUPAC Name: 4-(1,3-thiazol-2-yl)benzoic acid SMILES: C1=CC(=CC=C1C2=NC=CS2)C(=O)O

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Specifications

PubChem CID	23510471
CAS	266369-49-7
Molecular Weight (g/mol)	205.231
MDL Number	MFCD08275675
SMILES	C1=CC(=CC=C1C2=NC=CS2)C(=O)O
Synonym	4-1,3-thiazol-2-yl benzoic acid,4-thiazol-2-yl benzoic acid,4-2-thiazolyl benzoic acid,4-thiazol-2-yl benzoicacid,benzoic acid,4-2-thiazolyl
IUPAC Name	4-(1,3-thiazol-2-yl)benzoic acid
InChI Key	NCAPRAZCSUNRLM-UHFFFAOYSA-N
Molecular Formula	C10H7NO2S

1,020

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2-Fluoro-5-formylphenylboronic acid pinacol ester, 95%

CAS: 1112208-82-8 Molecular Formula: C13H16BFO3 Molecular Weight (g/mol): 250.08 MDL Number: MFCD11867877 InChI Key: WHYMLQVABFAGEK-UHFFFAOYSA-N Synonym: 2-fluoro-5-formylphenylboronic acid pinacol ester,4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-fluoro-5-formylphenylboronic acid, pinacol ester,2-fluoro-5-formylphenyl boronic acid pinacol ester,2-fluoro-5-formylbenzeneboronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-4-fluorobenzaldehyde,4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzaldehyde,benzaldehyde, 4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl PubChem CID: 46738018 IUPAC Name: 4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde SMILES: CC1(C)OB(OC1(C)C)C1=C(F)C=CC(C=O)=C1

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Specifications

PubChem CID	46738018
CAS	1112208-82-8
Molecular Weight (g/mol)	250.08
MDL Number	MFCD11867877
SMILES	CC1(C)OB(OC1(C)C)C1=C(F)C=CC(C=O)=C1
Synonym	2-fluoro-5-formylphenylboronic acid pinacol ester,4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl benzaldehyde,2-fluoro-5-formylphenylboronic acid, pinacol ester,2-fluoro-5-formylphenyl boronic acid pinacol ester,2-fluoro-5-formylbenzeneboronic acid pinacol ester,3-4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl-4-fluorobenzaldehyde,4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl-benzaldehyde,benzaldehyde, 4-fluoro-3-4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl
IUPAC Name	4-fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
InChI Key	WHYMLQVABFAGEK-UHFFFAOYSA-N
Molecular Formula	C13H16BFO3

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