6-Bromo-4-hydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H5BrO5
Molecular Weight	285.048
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-Bromo-4-hydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid

Structure Search

SMILES

OC(=O)C1=C(O)C2=CC(Br)=CC=C2OC1=O

InChI

InChIKey=DITILQJVMZCSFN-UHFFFAOYSA-N

InChI=1S/C10H5BrO5/c11-4-1-2-6-5(3-4)8(12)7(9(13)14)10(15)16-6/h1-3,12H,(H,13,14)

HIDE SMILES / InChI

Molecular Formula	C10H5BrO5
Molecular Weight	285.048
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 19:56:39 GMT 2025` Edited by `admin` on `Tue Apr 01 19:56:39 GMT 2025`
Record UNII	ET3R2E8XN9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NSC-115531

Preferred Name

English

6-Bromo-4-hydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid

Systematic Name

English

2H-1-Benzopyran-3-carboxylic acid, 6-bromo-4-hydroxy-2-oxo-

Systematic Name

English

Code System Code Type Description

CAS

6087-64-5

Created by admin on Tue Apr 01 19:56:39 GMT 2025 , Edited by admin on Tue Apr 01 19:56:39 GMT 2025

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FDA UNII

ET3R2E8XN9

Created by admin on Tue Apr 01 19:56:39 GMT 2025 , Edited by admin on Tue Apr 01 19:56:39 GMT 2025

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NSC

115531

Created by admin on Tue Apr 01 19:56:39 GMT 2025 , Edited by admin on Tue Apr 01 19:56:39 GMT 2025

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PUBCHEM

54690690

Created by admin on Tue Apr 01 19:56:39 GMT 2025 , Edited by admin on Tue Apr 01 19:56:39 GMT 2025

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EPA CompTox

DTXSID80209716

Created by admin on Tue Apr 01 19:56:39 GMT 2025 , Edited by admin on Tue Apr 01 19:56:39 GMT 2025

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