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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2,581 – 2,595 of 64,662 results

2,581

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2-Chlorobenzyl bromide, 97%

CAS: 611-17-6 Molecular Formula: C7H6BrCl Molecular Weight (g/mol): 205.479 MDL Number: MFCD00000566 InChI Key: PURSZYWBIQIANP-UHFFFAOYSA-N Synonym: 2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4 PubChem CID: 11905 IUPAC Name: 1-(bromomethyl)-2-chlorobenzene SMILES: C1=CC=C(C(=C1)CBr)Cl

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Specifications

PubChem CID	11905
CAS	611-17-6
Molecular Weight (g/mol)	205.479
MDL Number	MFCD00000566
SMILES	C1=CC=C(C(=C1)CBr)Cl
Synonym	2-chlorobenzyl bromide,1-bromomethyl-2-chlorobenzene,o-chlorobenzyl bromide,2-chlorobenzylbromide,benzene, 1-bromomethyl-2-chloro,alpha-bromo-2-chlorotoluene,unii-cev23h8uv4,2chlorobenzyl bromide,alpha-bromo-o-chlorotoluene,cev23h8uv4
IUPAC Name	1-(bromomethyl)-2-chlorobenzene
InChI Key	PURSZYWBIQIANP-UHFFFAOYSA-N
Molecular Formula	C7H6BrCl

2,582

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3,4-Dichlorophenylacetonitrile, 98%

CAS: 3218-49-3 Molecular Formula: C8H5Cl2N Molecular Weight (g/mol): 186.04 MDL Number: MFCD00001909 InChI Key: QWZNCAFWRZZJMA-UHFFFAOYSA-N Synonym: 3,4-dichlorophenylacetonitrile,2-3,4-dichlorophenyl acetonitrile,3,4-dichlorobenzyl cyanide,3,4-dichlorophenyl acetonitrile,benzeneacetonitrile, 3,4-dichloro,3,4-dichlorobenzeneacetonitrile,2-3,4-dichlorophenyl ethanenitrile,3,4-dichlorphenyl acetonitrile,pubchem16506,3,4-dichlorobenzylcyanide PubChem CID: 76690 IUPAC Name: 2-(3,4-dichlorophenyl)acetonitrile SMILES: ClC1=CC=C(CC#N)C=C1Cl

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Specifications

PubChem CID	76690
CAS	3218-49-3
Molecular Weight (g/mol)	186.04
MDL Number	MFCD00001909
SMILES	ClC1=CC=C(CC#N)C=C1Cl
Synonym	3,4-dichlorophenylacetonitrile,2-3,4-dichlorophenyl acetonitrile,3,4-dichlorobenzyl cyanide,3,4-dichlorophenyl acetonitrile,benzeneacetonitrile, 3,4-dichloro,3,4-dichlorobenzeneacetonitrile,2-3,4-dichlorophenyl ethanenitrile,3,4-dichlorphenyl acetonitrile,pubchem16506,3,4-dichlorobenzylcyanide
IUPAC Name	2-(3,4-dichlorophenyl)acetonitrile
InChI Key	QWZNCAFWRZZJMA-UHFFFAOYSA-N
Molecular Formula	C8H5Cl2N

2,583

[3-(1,3-Thiazol-2-yl)phenyl]methanol, 97%, Thermo Scientific™

CAS: 184847-97-0 Molecular Formula: C10H9NOS Molecular Weight (g/mol): 191.248 MDL Number: MFCD09025828 InChI Key: VDFDKGHCZKGOLZ-UHFFFAOYSA-N Synonym: 3-1,3-thiazol-2-yl phenyl methanol,3-thiazol-2-yl benzyl alcohol,3-thiazol-2-yl phenyl methanol,3-1,3-thiazol-2-yl phenyl methan-1-ol PubChem CID: 18525726 IUPAC Name: [3-(1,3-thiazol-2-yl)phenyl]methanol SMILES: C1=CC(=CC(=C1)CO)C2=NC=CS2

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Specifications

PubChem CID	18525726
CAS	184847-97-0
Molecular Weight (g/mol)	191.248
MDL Number	MFCD09025828
SMILES	C1=CC(=CC(=C1)CO)C2=NC=CS2
Synonym	3-1,3-thiazol-2-yl phenyl methanol,3-thiazol-2-yl benzyl alcohol,3-thiazol-2-yl phenyl methanol,3-1,3-thiazol-2-yl phenyl methan-1-ol
IUPAC Name	[3-(1,3-thiazol-2-yl)phenyl]methanol
InChI Key	VDFDKGHCZKGOLZ-UHFFFAOYSA-N
Molecular Formula	C10H9NOS

2,584

{4-[(6-Methylpyrazin-2-yl)oxy]phenyl}methanol, 97%, Thermo Scientific™

CAS: 906353-02-4 Molecular Formula: C12H12N2O2 Molecular Weight (g/mol): 216.24 MDL Number: MFCD09817533 InChI Key: RNFIYSOVNHRFJW-UHFFFAOYSA-N Synonym: 4-6-methylpyrazin-2-yl oxy phenyl methanol,4-6-methylpyrazin-2-yl oxy benzyl alcohol,4-6-methylpyrazin-2-yloxy phenyl methan-1-ol PubChem CID: 24229691 IUPAC Name: [4-(6-methylpyrazin-2-yl)oxyphenyl]methanol SMILES: CC1=CN=CC(OC2=CC=C(CO)C=C2)=N1

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Specifications

PubChem CID	24229691
CAS	906353-02-4
Molecular Weight (g/mol)	216.24
MDL Number	MFCD09817533
SMILES	CC1=CN=CC(OC2=CC=C(CO)C=C2)=N1
Synonym	4-6-methylpyrazin-2-yl oxy phenyl methanol,4-6-methylpyrazin-2-yl oxy benzyl alcohol,4-6-methylpyrazin-2-yloxy phenyl methan-1-ol
IUPAC Name	[4-(6-methylpyrazin-2-yl)oxyphenyl]methanol
InChI Key	RNFIYSOVNHRFJW-UHFFFAOYSA-N
Molecular Formula	C12H12N2O2

2,585

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3-Iodophenylacetonitrile, 97%

CAS: 130723-54-5 Molecular Formula: C8H6IN Molecular Weight (g/mol): 243.05 MDL Number: MFCD00040890 InChI Key: LVOKGAHCTHNWIL-UHFFFAOYSA-N Synonym: 3-iodophenylacetonitrile,2-3-iodophenyl acetonitrile,3-iodobenzyl cyanide,3-iodophenyl acetonitrile,m-iodobenzyl cyanide,3-iodophenyacetonitrile,pubchem12771,3-iodo-1-phenylacetonitrile,acmc-1c0v0,benzeneacetonitrile, 3-iodo PubChem CID: 2759368 IUPAC Name: 2-(3-iodophenyl)acetonitrile SMILES: IC1=CC=CC(CC#N)=C1

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Specifications

PubChem CID	2759368
CAS	130723-54-5
Molecular Weight (g/mol)	243.05
MDL Number	MFCD00040890
SMILES	IC1=CC=CC(CC#N)=C1
Synonym	3-iodophenylacetonitrile,2-3-iodophenyl acetonitrile,3-iodobenzyl cyanide,3-iodophenyl acetonitrile,m-iodobenzyl cyanide,3-iodophenyacetonitrile,pubchem12771,3-iodo-1-phenylacetonitrile,acmc-1c0v0,benzeneacetonitrile, 3-iodo
IUPAC Name	2-(3-iodophenyl)acetonitrile
InChI Key	LVOKGAHCTHNWIL-UHFFFAOYSA-N
Molecular Formula	C8H6IN

2,586

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3-chloro-5-fluorobenzyl Bromide, 97%, Thermo Scientific™

CAS: 493024-39-8 Molecular Formula: C7H5BrClF Molecular Weight (g/mol): 223.47 MDL Number: MFCD03788472 InChI Key: PKSAHOPFPPAUOD-UHFFFAOYSA-N Synonym: 3-chloro-5-fluorobenzyl bromide,1-bromomethyl-3-chloro-5-fluorobenzene,3-chloro-5-fluorobenzylbromide,5-chloro-3-fluorobenzyl bromide,benzene, 1-bromomethyl-3-chloro-5-fluoro,5-bromomethyl-3-chloro-1-fluorobenzene,alpha-bromo-3-chloro-5-fluorotoluene,pubchem4896,acmc-209kfr,1-bromomethyl-3-chloro-5-fluoro-benzene PubChem CID: 2734834 IUPAC Name: 1-(bromomethyl)-3-chloro-5-fluorobenzene SMILES: FC1=CC(Cl)=CC(CBr)=C1

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Specifications

PubChem CID	2734834
CAS	493024-39-8
Molecular Weight (g/mol)	223.47
MDL Number	MFCD03788472
SMILES	FC1=CC(Cl)=CC(CBr)=C1
Synonym	3-chloro-5-fluorobenzyl bromide,1-bromomethyl-3-chloro-5-fluorobenzene,3-chloro-5-fluorobenzylbromide,5-chloro-3-fluorobenzyl bromide,benzene, 1-bromomethyl-3-chloro-5-fluoro,5-bromomethyl-3-chloro-1-fluorobenzene,alpha-bromo-3-chloro-5-fluorotoluene,pubchem4896,acmc-209kfr,1-bromomethyl-3-chloro-5-fluoro-benzene
IUPAC Name	1-(bromomethyl)-3-chloro-5-fluorobenzene
InChI Key	PKSAHOPFPPAUOD-UHFFFAOYSA-N
Molecular Formula	C7H5BrClF

2,587

Benzyl alcohol, 98+%, Extra Dry, AcroSeal™

CAS: 100-51-6 Molecular Formula: C7H8O Molecular Weight (g/mol): 108.14 MDL Number: MFCD00004599,MFCD03792087 InChI Key: WVDDGKGOMKODPV-UHFFFAOYSA-N Synonym: benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol PubChem CID: 244 ChEBI: CHEBI:17987 IUPAC Name: phenylmethanol SMILES: OCC1=CC=CC=C1

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Specifications

PubChem CID	244
CAS	100-51-6
Molecular Weight (g/mol)	108.14
ChEBI	CHEBI:17987
MDL Number	MFCD00004599,MFCD03792087
SMILES	OCC1=CC=CC=C1
Synonym	benzyl alcohol,benzenemethanol,phenylcarbinol,benzoyl alcohol,hydroxytoluene,benzenecarbinol,phenylmethyl alcohol,alpha-toluenol,hydroxymethyl benzene,benzylalcohol
IUPAC Name	phenylmethanol
InChI Key	WVDDGKGOMKODPV-UHFFFAOYSA-N
Molecular Formula	C7H8O

2,588

Miconazole Free Base MP Biomedicals

CAS: 22916-47-8 Molecular Formula: C18H14Cl4N2O Molecular Weight (g/mol): 416.12 MDL Number: MFCD00216019 InChI Key: BYBLEWFAAKGYCD-UHFFFAOYNA-N Synonym: miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm PubChem CID: 4189 ChEBI: CHEBI:82892 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

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Specifications

PubChem CID	4189
CAS	22916-47-8
Molecular Weight (g/mol)	416.12
ChEBI	CHEBI:82892
MDL Number	MFCD00216019
SMILES	ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
Synonym	miconazole,monistat,monistat iv,daktarin iv,miconazolo,miconazolum,miconazol,minostate,dactarin,monistat-derm
IUPAC Name	1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]-1H-imidazole
InChI Key	BYBLEWFAAKGYCD-UHFFFAOYNA-N
Molecular Formula	C18H14Cl4N2O

2,589

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alpha-Bromo-p-xylene, 98%

CAS: 104-81-4 Molecular Formula: C₈H₉Br Molecular Weight (g/mol): 185.06 MDL Number: MFCD00000181 InChI Key: WZRKSPFYXUXINF-UHFFFAOYSA-N Synonym: 4-methylbenzyl bromide,1-bromomethyl-4-methylbenzene,p-xylyl bromide,p-methylbenzyl bromide,alpha-bromo-p-xylene,benzene, 1-bromomethyl-4-methyl,4-bromomethyl toluene,p-bromomethyl toluene,alpha-bromo-p-xylol,1-bromomethyl-4-methyl-benzene PubChem CID: 7721 IUPAC Name: 1-(bromomethyl)-4-methylbenzene SMILES: CC1=CC=C(C=C1)CBr

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PubChem CID	7721
CAS	104-81-4
Molecular Weight (g/mol)	185.06
MDL Number	MFCD00000181
SMILES	CC1=CC=C(C=C1)CBr
Synonym	4-methylbenzyl bromide,1-bromomethyl-4-methylbenzene,p-xylyl bromide,p-methylbenzyl bromide,alpha-bromo-p-xylene,benzene, 1-bromomethyl-4-methyl,4-bromomethyl toluene,p-bromomethyl toluene,alpha-bromo-p-xylol,1-bromomethyl-4-methyl-benzene
IUPAC Name	1-(bromomethyl)-4-methylbenzene
InChI Key	WZRKSPFYXUXINF-UHFFFAOYSA-N
Molecular Formula	C₈H₉Br

2,590

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4-Isopropylaniline, 99%

CAS: 99-88-7 Molecular Formula: C₉H₁₃N Molecular Weight (g/mol): 135.21 MDL Number: MFCD00007900 InChI Key: LRTFPLFDLJYEKT-UHFFFAOYSA-N Synonym: 4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl PubChem CID: 7464 ChEBI: CHEBI:43405 IUPAC Name: 4-propan-2-ylaniline SMILES: CC(C)C1=CC=C(C=C1)N

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PubChem CID	7464
CAS	99-88-7
Molecular Weight (g/mol)	135.21
ChEBI	CHEBI:43405
MDL Number	MFCD00007900
SMILES	CC(C)C1=CC=C(C=C1)N
Synonym	4-isopropylaniline,cumidine,4-aminocumene,p-isopropylaniline,p-cumidine,4-propan-2-yl aniline,para-isopropylaniline,4-amino-1-isopropylbenzene,cumene, p-amino,aniline, p-isopropyl
IUPAC Name	4-propan-2-ylaniline
InChI Key	LRTFPLFDLJYEKT-UHFFFAOYSA-N
Molecular Formula	C₉H₁₃N

2,591

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2,6-Dibromo-4-isopropylaniline, 98%

CAS: 10546-65-3 Molecular Formula: C9H11Br2N Molecular Weight (g/mol): 293.002 MDL Number: MFCD00015475 InChI Key: CJEBZUFROMNDEK-UHFFFAOYSA-N PubChem CID: 139184 IUPAC Name: 2,6-dibromo-4-propan-2-ylaniline SMILES: CC(C)C1=CC(=C(C(=C1)Br)N)Br

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Specifications

PubChem CID	139184
CAS	10546-65-3
Molecular Weight (g/mol)	293.002
MDL Number	MFCD00015475
SMILES	CC(C)C1=CC(=C(C(=C1)Br)N)Br
IUPAC Name	2,6-dibromo-4-propan-2-ylaniline
InChI Key	CJEBZUFROMNDEK-UHFFFAOYSA-N
Molecular Formula	C9H11Br2N

2,592

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2-Bromo-1,3,5-triisopropylbenzene, 96%

CAS: 21524-34-5 Molecular Formula: C15H23Br Molecular Weight (g/mol): 283.253 MDL Number: MFCD00051547 InChI Key: FUMMYHVKFAHQST-UHFFFAOYSA-N Synonym: 2-bromo-1,3,5-triisopropylbenzene,1-bromo-2,4,6-triisopropylbenzene,2,4,6-triisopropylbromobenzene,1,3,5-triisopropyl-2-bromobenzene,2-bromo-1,3,5-tris propan-2-yl benzene,2-bromo-1,3,5-triisopropyl-benzene,2-bromo-1,3,5-tri propan-2-yl benzene,benzene, 2-bromo-1,3,5-tris 1-methylethyl,2-bromo-1,3,5-tris 1-methylethyl-benzene,acmc-209flf PubChem CID: 140846 IUPAC Name: 2-bromo-1,3,5-tri(propan-2-yl)benzene SMILES: CC(C)C1=CC(=C(C(=C1)C(C)C)Br)C(C)C

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PubChem CID	140846
CAS	21524-34-5
Molecular Weight (g/mol)	283.253
MDL Number	MFCD00051547
SMILES	CC(C)C1=CC(=C(C(=C1)C(C)C)Br)C(C)C
Synonym	2-bromo-1,3,5-triisopropylbenzene,1-bromo-2,4,6-triisopropylbenzene,2,4,6-triisopropylbromobenzene,1,3,5-triisopropyl-2-bromobenzene,2-bromo-1,3,5-tris propan-2-yl benzene,2-bromo-1,3,5-triisopropyl-benzene,2-bromo-1,3,5-tri propan-2-yl benzene,benzene, 2-bromo-1,3,5-tris 1-methylethyl,2-bromo-1,3,5-tris 1-methylethyl-benzene,acmc-209flf
IUPAC Name	2-bromo-1,3,5-tri(propan-2-yl)benzene
InChI Key	FUMMYHVKFAHQST-UHFFFAOYSA-N
Molecular Formula	C15H23Br

2,593

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2-Chloro-3-methoxybenzoic acid, 97%

CAS: 33234-36-5 Molecular Formula: C8H7ClO3 Molecular Weight (g/mol): 186.59 MDL Number: MFCD07784399 InChI Key: VIUDWLLKFANPLX-UHFFFAOYSA-N Synonym: benzoic acid, 2-chloro-3-methoxy,acmc-20a6cl,2-chloro-m-anisic acid,2-chloro-3-methoxybenzoicacid,2-chloro-3-methoxybenzoic acid PubChem CID: 16218063 IUPAC Name: 2-chloro-3-methoxybenzoic acid SMILES: COC1=CC=CC(C(O)=O)=C1Cl

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PubChem CID	16218063
CAS	33234-36-5
Molecular Weight (g/mol)	186.59
MDL Number	MFCD07784399
SMILES	COC1=CC=CC(C(O)=O)=C1Cl
Synonym	benzoic acid, 2-chloro-3-methoxy,acmc-20a6cl,2-chloro-m-anisic acid,2-chloro-3-methoxybenzoicacid,2-chloro-3-methoxybenzoic acid
IUPAC Name	2-chloro-3-methoxybenzoic acid
InChI Key	VIUDWLLKFANPLX-UHFFFAOYSA-N
Molecular Formula	C8H7ClO3

2,594

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3,5-Dimethoxy-4-methylbenzoic acid, 97%

CAS: 61040-81-1 Molecular Formula: C10H12O4 Molecular Weight (g/mol): 196.202 MDL Number: MFCD00017506 InChI Key: QIBMVRYNEXOCCF-UHFFFAOYSA-N Synonym: 3,5-dimethoxy-4-methyl-benzoic acid,benzoic acid,3,5-dimethoxy-4-methyl,3,5-dimethoxy-4-methylbenzoicacid,acmc-1b58y,3,5-dimethoxy4-methylbenzoic acid,4-methyl-3,5-dimethoxybenzoic acid,3,5-dimethoxy-p-toluic acid,labotest-bb lt00455447,3,5-dimethoxy-4-methyl benzoic acid,3,5-di-methoxy-4-methyl-benzoic acid PubChem CID: 3764486 IUPAC Name: 3,5-dimethoxy-4-methylbenzoic acid SMILES: CC1=C(C=C(C=C1OC)C(=O)O)OC

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Specifications

PubChem CID	3764486
CAS	61040-81-1
Molecular Weight (g/mol)	196.202
MDL Number	MFCD00017506
SMILES	CC1=C(C=C(C=C1OC)C(=O)O)OC
Synonym	3,5-dimethoxy-4-methyl-benzoic acid,benzoic acid,3,5-dimethoxy-4-methyl,3,5-dimethoxy-4-methylbenzoicacid,acmc-1b58y,3,5-dimethoxy4-methylbenzoic acid,4-methyl-3,5-dimethoxybenzoic acid,3,5-dimethoxy-p-toluic acid,labotest-bb lt00455447,3,5-dimethoxy-4-methyl benzoic acid,3,5-di-methoxy-4-methyl-benzoic acid
IUPAC Name	3,5-dimethoxy-4-methylbenzoic acid
InChI Key	QIBMVRYNEXOCCF-UHFFFAOYSA-N
Molecular Formula	C10H12O4

2,595

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2-Bromo-5-methoxybenzoic acid, 98+%

CAS: 22921-68-2 Molecular Formula: C8H7BrO3 Molecular Weight (g/mol): 231.045 MDL Number: MFCD00020214 InChI Key: ODHJOROUCITYNF-UHFFFAOYSA-N Synonym: 6-bromo-m-anisic acid,2-bromo-5-methoxybenzoicacid,benzoic acid, 2-bromo-5-methoxy,5-methoxy-2-bromobenzoic acid,2-bromo-5-methoxy-benzoic acid,pubchem2674,acmc-1clk6,ksc205k0l,rarechem al be 1111,2-bromo-5-methoxy benzoic acid PubChem CID: 89906 IUPAC Name: 2-bromo-5-methoxybenzoic acid SMILES: COC1=CC(=C(C=C1)Br)C(=O)O

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Specifications

PubChem CID	89906
CAS	22921-68-2
Molecular Weight (g/mol)	231.045
MDL Number	MFCD00020214
SMILES	COC1=CC(=C(C=C1)Br)C(=O)O
Synonym	6-bromo-m-anisic acid,2-bromo-5-methoxybenzoicacid,benzoic acid, 2-bromo-5-methoxy,5-methoxy-2-bromobenzoic acid,2-bromo-5-methoxy-benzoic acid,pubchem2674,acmc-1clk6,ksc205k0l,rarechem al be 1111,2-bromo-5-methoxy benzoic acid
IUPAC Name	2-bromo-5-methoxybenzoic acid
InChI Key	ODHJOROUCITYNF-UHFFFAOYSA-N
Molecular Formula	C8H7BrO3

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