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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3,241 – 3,255 of 64,662 results

3,241

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2,6-Bis(trifluoromethyl)benzeneboronic acid, 97%

CAS: 681812-07-7 Molecular Formula: C8H5BF6O2 Molecular Weight (g/mol): 257.926 MDL Number: MFCD04039321 InChI Key: WAMPGNNEOZGBHR-UHFFFAOYSA-N Synonym: 2,6-bis trifluoromethyl phenyl boronic acid,2,6-bis trifluoromethyl phenylboronic acid,2,6-bis trifluoromethyl benzeneboronic acid,2,6-ditrifluoromethylphenyl boronic acid,boronic acid, 2,6-bis trifluoromethyl phenyl,acmc-1b92w,ablock ab-13-3574,2,6-bis-trifluoromethyl benzeneboronic acid PubChem CID: 2783239 IUPAC Name: [2,6-bis(trifluoromethyl)phenyl]boronic acid SMILES: B(C1=C(C=CC=C1C(F)(F)F)C(F)(F)F)(O)O

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Specifications

PubChem CID	2783239
CAS	681812-07-7
Molecular Weight (g/mol)	257.926
MDL Number	MFCD04039321
SMILES	B(C1=C(C=CC=C1C(F)(F)F)C(F)(F)F)(O)O
Synonym	2,6-bis trifluoromethyl phenyl boronic acid,2,6-bis trifluoromethyl phenylboronic acid,2,6-bis trifluoromethyl benzeneboronic acid,2,6-ditrifluoromethylphenyl boronic acid,boronic acid, 2,6-bis trifluoromethyl phenyl,acmc-1b92w,ablock ab-13-3574,2,6-bis-trifluoromethyl benzeneboronic acid
IUPAC Name	[2,6-bis(trifluoromethyl)phenyl]boronic acid
InChI Key	WAMPGNNEOZGBHR-UHFFFAOYSA-N
Molecular Formula	C8H5BF6O2

3,242

N-Methyl-3-(1H-pyrazol-1-ylmethyl)benzylamine, 90%, Thermo Scientific™

CAS: 892502-10-2 Molecular Formula: C12H15N3 Molecular Weight (g/mol): 201.273 MDL Number: MFCD08690303 InChI Key: RXKBCAGRFVIQTK-UHFFFAOYSA-N Synonym: n-methyl-3-1h-pyrazol-1-ylmethyl benzylamine,methyl 3-pyrazol-1-ylmethyl phenyl methyl amine,methyl 3-pyrazolylmethyl phenyl methyl amine,benzenemethanamine,n-methyl-3-1h-pyrazol-1-ylmethyl,1-3-1h-pyrazol-1-yl methyl phenyl-n-methylmethanamine,n-methyl-1-3-1h-pyrazol-1-yl methyl phenyl methanamine PubChem CID: 18525881 IUPAC Name: N-methyl-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine SMILES: CNCC1=CC=CC(=C1)CN2C=CC=N2

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Specifications

PubChem CID	18525881
CAS	892502-10-2
Molecular Weight (g/mol)	201.273
MDL Number	MFCD08690303
SMILES	CNCC1=CC=CC(=C1)CN2C=CC=N2
Synonym	n-methyl-3-1h-pyrazol-1-ylmethyl benzylamine,methyl 3-pyrazol-1-ylmethyl phenyl methyl amine,methyl 3-pyrazolylmethyl phenyl methyl amine,benzenemethanamine,n-methyl-3-1h-pyrazol-1-ylmethyl,1-3-1h-pyrazol-1-yl methyl phenyl-n-methylmethanamine,n-methyl-1-3-1h-pyrazol-1-yl methyl phenyl methanamine
IUPAC Name	N-methyl-1-[3-(pyrazol-1-ylmethyl)phenyl]methanamine
InChI Key	RXKBCAGRFVIQTK-UHFFFAOYSA-N
Molecular Formula	C12H15N3

3,243

Sodium 4-aminosalicylate dihydrate, 98%

CAS: 6018-19-5 Molecular Formula: C7H10NNaO5 Molecular Weight (g/mol): 211.149 MDL Number: MFCD00151044 InChI Key: GMUQJDAYXZXBOT-UHFFFAOYSA-M Synonym: sodium 4-aminosalicylate dihydrate,sodium 4-amino-2-hydroxybenzoate dihydrate,parasal sodium,4-aminosalicylic acid sodium salt dihydrate,unii-s38b9w6axw,aminosalicylate sodium,sodium aminosalicylate,sodium p.a.s.,s38b9w6axw,aminosalicylate sodium usp PubChem CID: 16211148 IUPAC Name: sodium;4-amino-2-hydroxybenzoate;dihydrate SMILES: C1=CC(=C(C=C1N)O)C(=O)[O-].O.O.[Na+]

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Specifications

PubChem CID	16211148
CAS	6018-19-5
Molecular Weight (g/mol)	211.149
MDL Number	MFCD00151044
SMILES	C1=CC(=C(C=C1N)O)C(=O)[O-].O.O.[Na+]
Synonym	sodium 4-aminosalicylate dihydrate,sodium 4-amino-2-hydroxybenzoate dihydrate,parasal sodium,4-aminosalicylic acid sodium salt dihydrate,unii-s38b9w6axw,aminosalicylate sodium,sodium aminosalicylate,sodium p.a.s.,s38b9w6axw,aminosalicylate sodium usp
IUPAC Name	sodium;4-amino-2-hydroxybenzoate;dihydrate
InChI Key	GMUQJDAYXZXBOT-UHFFFAOYSA-M
Molecular Formula	C7H10NNaO5

3,244

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Dimethyl 3-nitrophthalate, 98%

CAS: 13365-26-9 Molecular Formula: C10H9NO6 Molecular Weight (g/mol): 239.183 MDL Number: MFCD00017184 InChI Key: MLQMIKSBTAZNBK-UHFFFAOYSA-N PubChem CID: 249912 IUPAC Name: dimethyl 3-nitrobenzene-1,2-dicarboxylate SMILES: COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC

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Specifications

PubChem CID	249912
CAS	13365-26-9
Molecular Weight (g/mol)	239.183
MDL Number	MFCD00017184
SMILES	COC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])C(=O)OC
IUPAC Name	dimethyl 3-nitrobenzene-1,2-dicarboxylate
InChI Key	MLQMIKSBTAZNBK-UHFFFAOYSA-N
Molecular Formula	C10H9NO6

3,245

Thermo Scientific Chemicals Fluconazole, 98%

CAS: 86386-73-4 Molecular Formula: C₁₃H₁₂F₂N₆O Molecular Weight (g/mol): 306.27 MDL Number: MFCD00274549 InChI Key: RFHAOTPXVQNOHP-UHFFFAOYSA-N Synonym: fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol PubChem CID: 3365 ChEBI: CHEBI:46081 IUPAC Name: 2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol SMILES: C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O

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Specifications

PubChem CID	3365
CAS	86386-73-4
Molecular Weight (g/mol)	306.27
ChEBI	CHEBI:46081
MDL Number	MFCD00274549
SMILES	C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O
Synonym	fluconazole,diflucan,triflucan,elazor,biozolene,biocanol,fungata,fluconazol,fluconazolum,flucazol
IUPAC Name	2-(2,4-difluorophenyl)-1,3-bis(1,2,4-triazol-1-yl)propan-2-ol
InChI Key	RFHAOTPXVQNOHP-UHFFFAOYSA-N
Molecular Formula	C₁₃H₁₂F₂N₆O

3,246

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4-Methoxy-2-nitroaniline, 97%

CAS: 96-96-8 Molecular Formula: C₇H₈N₂O₃ Molecular Weight (g/mol): 168.15 MDL Number: MFCD00007152 InChI Key: QFMJFXFXQAFGBO-UHFFFAOYSA-N Synonym: 2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt PubChem CID: 66793 ChEBI: CHEBI:48973 IUPAC Name: 4-methoxy-2-nitroaniline SMILES: COC1=CC(=C(C=C1)N)[N+](=O)[O-]

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Specifications

PubChem CID	66793
CAS	96-96-8
Molecular Weight (g/mol)	168.15
ChEBI	CHEBI:48973
MDL Number	MFCD00007152
SMILES	COC1=CC(=C(C=C1)N)[N+](=O)[O-]
Synonym	2-nitro-4-methoxyaniline,4-amino-3-nitroanisole,fast bordeaux gp,2-nitro-p-anisidine,azobase nas,devol bordeaux b,bordeaux gp base,bordeaux gp salt,fast bordeaux gp base,fast bordeaux gp salt
IUPAC Name	4-methoxy-2-nitroaniline
InChI Key	QFMJFXFXQAFGBO-UHFFFAOYSA-N
Molecular Formula	C₇H₈N₂O₃

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3,5-Dimethylbenzaldehyde, 98%

CAS: 5779-95-3 Molecular Formula: C9H10O Molecular Weight (g/mol): 134.178 MDL Number: MFCD00082777 InChI Key: NBEFMISJJNGCIZ-UHFFFAOYSA-N Synonym: benzaldehyde, 3,5-dimethyl,3,5-dimethyl benzaldehyde,m-xylene-5-carboxaldehyde,3,5-dimethyl-benzaldehyde,pubchem15515,acmc-1arkp,3,5-dimehtylbenzaldehyde,#,ksc494c0b,3,5-dimethylbenzaldehyde PubChem CID: 34225 IUPAC Name: 3,5-dimethylbenzaldehyde SMILES: CC1=CC(=CC(=C1)C=O)C

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Specifications

PubChem CID	34225
CAS	5779-95-3
Molecular Weight (g/mol)	134.178
MDL Number	MFCD00082777
SMILES	CC1=CC(=CC(=C1)C=O)C
Synonym	benzaldehyde, 3,5-dimethyl,3,5-dimethyl benzaldehyde,m-xylene-5-carboxaldehyde,3,5-dimethyl-benzaldehyde,pubchem15515,acmc-1arkp,3,5-dimehtylbenzaldehyde,#,ksc494c0b,3,5-dimethylbenzaldehyde
IUPAC Name	3,5-dimethylbenzaldehyde
InChI Key	NBEFMISJJNGCIZ-UHFFFAOYSA-N
Molecular Formula	C9H10O

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5-Bromo-2-hydroxybenzophenone, 97%

CAS: 55082-33-2 Molecular Formula: C13H9BrO2 Molecular Weight (g/mol): 277.117 MDL Number: MFCD00525062 InChI Key: IVIICRNXAGUXLR-UHFFFAOYSA-N Synonym: 5-bromo-2-hydroxybenzophenone,5-bromo-2-hydroxyphenyl phenyl methanone,2-benzoyl-4-bromophenol,5-bromo-2-hydroxyphenyl-phenylmethanone,acmc-209lkx,5-bromo-2-hydroxy-benzophenone,5-bromo-2-hydroxyphenyl phenyl ketone,methanone, 5-bromo-2-hydroxyphenyl phenyl,5-bromo-2-hydroxy-phenyl-phenyl-methanone PubChem CID: 229009 IUPAC Name: (5-bromo-2-hydroxyphenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)O

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Specifications

PubChem CID	229009
CAS	55082-33-2
Molecular Weight (g/mol)	277.117
MDL Number	MFCD00525062
SMILES	C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Br)O
Synonym	5-bromo-2-hydroxybenzophenone,5-bromo-2-hydroxyphenyl phenyl methanone,2-benzoyl-4-bromophenol,5-bromo-2-hydroxyphenyl-phenylmethanone,acmc-209lkx,5-bromo-2-hydroxy-benzophenone,5-bromo-2-hydroxyphenyl phenyl ketone,methanone, 5-bromo-2-hydroxyphenyl phenyl,5-bromo-2-hydroxy-phenyl-phenyl-methanone
IUPAC Name	(5-bromo-2-hydroxyphenyl)-phenylmethanone
InChI Key	IVIICRNXAGUXLR-UHFFFAOYSA-N
Molecular Formula	C13H9BrO2

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2,4-Dimethylbenzylamine, 98%

CAS: 94-98-4 Molecular Formula: C9H14N Molecular Weight (g/mol): 136.22 MDL Number: MFCD00025575 InChI Key: GBSUVYGVEQDZPG-UHFFFAOYSA-O Synonym: 2,4-dimethylbenzylamine,2,4-dimethylphenyl methanamine,benzenemethanamine, 2,4-dimethyl,benzylamine, 2,4-dimethyl,2,4-dimethylbenzenemethanamine,omega-amino-psi-cumene,1-2,4-dimethylphenyl methanamine,omega-amino-1,2,4-trimethylbenzene,rarechem al bw 0350,timtec-bb sbb005795 PubChem CID: 66761 IUPAC Name: (2,4-dimethylphenyl)methanamine SMILES: CC1=CC=C(C[NH3+])C(C)=C1

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Specifications

PubChem CID	66761
CAS	94-98-4
Molecular Weight (g/mol)	136.22
MDL Number	MFCD00025575
SMILES	CC1=CC=C(C[NH3+])C(C)=C1
Synonym	2,4-dimethylbenzylamine,2,4-dimethylphenyl methanamine,benzenemethanamine, 2,4-dimethyl,benzylamine, 2,4-dimethyl,2,4-dimethylbenzenemethanamine,omega-amino-psi-cumene,1-2,4-dimethylphenyl methanamine,omega-amino-1,2,4-trimethylbenzene,rarechem al bw 0350,timtec-bb sbb005795
IUPAC Name	(2,4-dimethylphenyl)methanamine
InChI Key	GBSUVYGVEQDZPG-UHFFFAOYSA-O
Molecular Formula	C9H14N

3,250

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p-Toluenesulfonyl cyanide, 95%

CAS: 19158-51-1 Molecular Formula: C₈H₇NO₂S Molecular Weight (g/mol): 181.21 InChI Key: JONIMGVUGJVFQD-UHFFFAOYSA-N Synonym: tosyl cyanide,p-toluenesulfonyl cyanide,4-methylbenzenesulfonyl cyanide,p-toluenesulphonyl cyanide,p-toluene sulfonyl cyanide,p-tolylsulfonyl cyanide,p-toluenesulfonylcyanide,benzenesulfonylcyanide, 4-methyl,benzenesulfonyl cyanide, 4-methyl,4-methylphenyl sulfonylformonitrile PubChem CID: 87946 IUPAC Name: (4-methylphenyl)sulfonylformonitrile SMILES: CC1=CC=C(C=C1)S(=O)(=O)C#N

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Specifications

PubChem CID	87946
CAS	19158-51-1
Molecular Weight (g/mol)	181.21
SMILES	CC1=CC=C(C=C1)S(=O)(=O)C#N
Synonym	tosyl cyanide,p-toluenesulfonyl cyanide,4-methylbenzenesulfonyl cyanide,p-toluenesulphonyl cyanide,p-toluene sulfonyl cyanide,p-tolylsulfonyl cyanide,p-toluenesulfonylcyanide,benzenesulfonylcyanide, 4-methyl,benzenesulfonyl cyanide, 4-methyl,4-methylphenyl sulfonylformonitrile
IUPAC Name	(4-methylphenyl)sulfonylformonitrile
InChI Key	JONIMGVUGJVFQD-UHFFFAOYSA-N
Molecular Formula	C₈H₇NO₂S

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4'-(Bromomethyl)biphenyl-2-carbonitrile, 98%

CAS: 114772-54-2 Molecular Formula: C14H10BrN Molecular Weight (g/mol): 272.145 MDL Number: MFCD00671503 InChI Key: LFFIEVAMVPCZNA-UHFFFAOYSA-N Synonym: 4'-bromomethyl-2-cyanobiphenyl,2-4-bromomethyl phenyl benzonitrile,2-cyano-4'-bromomethylbiphenyl,4'-bromomethyl-1,1'-biphenyl-2-carbonitrile,2-4-bromo-methylphenyl benzonitrile,4'-bromomethyl-2-biphenylcarbonitrile,4'-bromomethylbiphenyl-2-carbonitrile,2'-cyano-4-bromomethylbiphenyl,4-2-cyanophenyl benzyl bromide,unii-ui5jr3k10f PubChem CID: 1501912 IUPAC Name: 2-[4-(bromomethyl)phenyl]benzonitrile SMILES: C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr

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Specifications

PubChem CID	1501912
CAS	114772-54-2
Molecular Weight (g/mol)	272.145
MDL Number	MFCD00671503
SMILES	C1=CC=C(C(=C1)C#N)C2=CC=C(C=C2)CBr
Synonym	4'-bromomethyl-2-cyanobiphenyl,2-4-bromomethyl phenyl benzonitrile,2-cyano-4'-bromomethylbiphenyl,4'-bromomethyl-1,1'-biphenyl-2-carbonitrile,2-4-bromo-methylphenyl benzonitrile,4'-bromomethyl-2-biphenylcarbonitrile,4'-bromomethylbiphenyl-2-carbonitrile,2'-cyano-4-bromomethylbiphenyl,4-2-cyanophenyl benzyl bromide,unii-ui5jr3k10f
IUPAC Name	2-[4-(bromomethyl)phenyl]benzonitrile
InChI Key	LFFIEVAMVPCZNA-UHFFFAOYSA-N
Molecular Formula	C14H10BrN

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3-Chlorobenzophenone, 98+%

CAS: 1016-78-0 Molecular Formula: C13H9ClO Molecular Weight (g/mol): 216.664 MDL Number: MFCD00009816 InChI Key: CPLWKNRPZVNELG-UHFFFAOYSA-N Synonym: 3-chlorobenzophenone,3-chlorophenyl phenyl methanone,benzophenone, 3-chloro,methanone, 3-chlorophenyl phenyl,m-chlorobenzophenone,3-chlorophenyl-phenylmethanone,methanone, 3-chlorophenyl pheny,3-chlorophenyl phenyl ketone,5-chlorobenzophenone,pubchem24414 PubChem CID: 66098 IUPAC Name: (3-chlorophenyl)-phenylmethanone SMILES: C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Cl

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Specifications

PubChem CID	66098
CAS	1016-78-0
Molecular Weight (g/mol)	216.664
MDL Number	MFCD00009816
SMILES	C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Cl
Synonym	3-chlorobenzophenone,3-chlorophenyl phenyl methanone,benzophenone, 3-chloro,methanone, 3-chlorophenyl phenyl,m-chlorobenzophenone,3-chlorophenyl-phenylmethanone,methanone, 3-chlorophenyl pheny,3-chlorophenyl phenyl ketone,5-chlorobenzophenone,pubchem24414
IUPAC Name	(3-chlorophenyl)-phenylmethanone
InChI Key	CPLWKNRPZVNELG-UHFFFAOYSA-N
Molecular Formula	C13H9ClO

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3,5-Difluoroaniline, 98+%

CAS: 372-39-4 Molecular Formula: C6H5F2N Molecular Weight (g/mol): 129.11 MDL Number: MFCD00007763 InChI Key: KQOIBXZRCYFZSO-UHFFFAOYSA-N Synonym: benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline PubChem CID: 96595 IUPAC Name: 3,5-difluoroaniline SMILES: C1=C(C=C(C=C1F)F)N

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Specifications

PubChem CID	96595
CAS	372-39-4
Molecular Weight (g/mol)	129.11
MDL Number	MFCD00007763
SMILES	C1=C(C=C(C=C1F)F)N
Synonym	benzenamine, 3,5-difluoro,3,5-difluorobenzenamine,3,5-difluorophenylamine,5an,3,5-difluoranilin,3,5-difluoroanilin,3,5 difluoroaniline,3.5-difluoroaniline,pubchem2296,3, 5-difluoroaniline
IUPAC Name	3,5-difluoroaniline
InChI Key	KQOIBXZRCYFZSO-UHFFFAOYSA-N
Molecular Formula	C6H5F2N

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2,3-Dihydroxybenzoic acid, 99%

CAS: 303-38-8 Molecular Formula: C₇H₆O₄ Molecular Weight (g/mol): 154.12 MDL Number: MFCD00002446 InChI Key: GLDQAMYCGOIJDV-UHFFFAOYSA-N Synonym: pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid PubChem CID: 19 ChEBI: CHEBI:18026 IUPAC Name: 2,3-dihydroxybenzoic acid SMILES: C1=CC(=C(C(=C1)O)O)C(=O)O

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Specifications

PubChem CID	19
CAS	303-38-8
Molecular Weight (g/mol)	154.12
ChEBI	CHEBI:18026
MDL Number	MFCD00002446
SMILES	C1=CC(=C(C(=C1)O)O)C(=O)O
Synonym	pyrocatechuic acid,o-pyrocatechuic acid,2-pyrocatechuic acid,3-hydroxysalicylic acid,dobk,dhba,2,3-dihydroxybenzoicacid,benzoic acid, 2,3-dihydroxy,catecholcarboxylic acid,2,3-dihydroxy-benzoic acid
IUPAC Name	2,3-dihydroxybenzoic acid
InChI Key	GLDQAMYCGOIJDV-UHFFFAOYSA-N
Molecular Formula	C₇H₆O₄

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Miconazole, USP, 98-102%, Spectrum™ Chemical

CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N IUPAC Name: 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole SMILES: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1

Pricing & Availability
Specifications

CAS	22916-47-8
Molecular Weight (g/mol)	416.12
MDL Number	MFCD00216019
SMILES	ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
IUPAC Name	1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole
InChI Key	BYBLEWFAAKGYCD-UHFFFAOYNA-N
Molecular Formula	C18H14Cl4N2O

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