4-Bromo-3-methylbenzoic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H7BrO2
Molecular Weight	215.044
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Bromo-3-methylbenzoic acid

Structure Search

SMILES

CC1=C(Br)C=CC(=C1)C(O)=O

InChI

InChIKey=KWVXDZLVCISXIB-UHFFFAOYSA-N

InChI=1S/C8H7BrO2/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula	C8H7BrO2
Molecular Weight	215.044
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 12:24:41 GMT 2023` Edited by `admin` on `Sat Dec 16 12:24:41 GMT 2023`
Record UNII	B77W8W6R4Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Bromo-3-methylbenzoic acid

Systematic Name

English

3-Methyl-4-bromobenzoic acid

Systematic Name

English

Benzoic acid, 4-bromo-3-methyl-

Systematic Name

English

Code System Code Type Description

PUBCHEM

82131

Created by admin on Sat Dec 16 12:24:41 GMT 2023 , Edited by admin on Sat Dec 16 12:24:41 GMT 2023

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ECHA (EC/EINECS)

231-713-7

Created by admin on Sat Dec 16 12:24:41 GMT 2023 , Edited by admin on Sat Dec 16 12:24:41 GMT 2023

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EPA CompTox

DTXSID20227752

Created by admin on Sat Dec 16 12:24:41 GMT 2023 , Edited by admin on Sat Dec 16 12:24:41 GMT 2023

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CAS

7697-28-1

Created by admin on Sat Dec 16 12:24:41 GMT 2023 , Edited by admin on Sat Dec 16 12:24:41 GMT 2023

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FDA UNII

B77W8W6R4Q

Created by admin on Sat Dec 16 12:24:41 GMT 2023 , Edited by admin on Sat Dec 16 12:24:41 GMT 2023

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