5-Bromovanillic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H7BrO4
Molecular Weight	247.043
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-Bromovanillic acid

Structure Search

SMILES

COC1=C(O)C(Br)=CC(=C1)C(O)=O

InChI

InChIKey=FGOVBTMEPVEFCJ-UHFFFAOYSA-N

InChI=1S/C8H7BrO4/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,10H,1H3,(H,11,12)

HIDE SMILES / InChI

Molecular Formula	C8H7BrO4
Molecular Weight	247.043
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 `Tue Apr 01 17:48:43 GMT 2025` Edited by `admin` on `Tue Apr 01 17:48:43 GMT 2025`
Record UNII	766KDP25BN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-Bromovanillic acid

Systematic Name

English

NSC-29084

Preferred Name

English

3-Bromo-4-hydroxy-5-methoxybenzoic acid

Systematic Name

English

Benzoic acid, 3-bromo-4-hydroxy-5-methoxy-

Systematic Name

English

Code System Code Type Description

FDA UNII

766KDP25BN

Created by admin on Tue Apr 01 17:48:43 GMT 2025 , Edited by admin on Tue Apr 01 17:48:43 GMT 2025

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PUBCHEM

80612

Created by admin on Tue Apr 01 17:48:43 GMT 2025 , Edited by admin on Tue Apr 01 17:48:43 GMT 2025

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EPA CompTox

DTXSID90212630

Created by admin on Tue Apr 01 17:48:43 GMT 2025 , Edited by admin on Tue Apr 01 17:48:43 GMT 2025

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ECHA (EC/EINECS)

228-685-3

Created by admin on Tue Apr 01 17:48:43 GMT 2025 , Edited by admin on Tue Apr 01 17:48:43 GMT 2025

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NSC

29084

Created by admin on Tue Apr 01 17:48:43 GMT 2025 , Edited by admin on Tue Apr 01 17:48:43 GMT 2025

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CAS

6324-52-3

Created by admin on Tue Apr 01 17:48:43 GMT 2025 , Edited by admin on Tue Apr 01 17:48:43 GMT 2025

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