3-Bromo-6-nitrocoumarin

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H4BrNO4
Molecular Weight	270.036
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Bromo-6-nitrocoumarin

Structure Search

SMILES

[O-][N+](=O)C1=CC2=C(OC(=O)C(Br)=C2)C=C1

InChI

InChIKey=CMASVHRZKKMZCX-UHFFFAOYSA-N

InChI=1S/C9H4BrNO4/c10-7-4-5-3-6(11(13)14)1-2-8(5)15-9(7)12/h1-4H

HIDE SMILES / InChI

Molecular Formula	C9H4BrNO4
Molecular Weight	270.036
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 13:15:43 GMT 2023` Edited by `admin` on `Sat Dec 16 13:15:43 GMT 2023`
Record UNII	797G6M6EYD
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Bromo-6-nitrocoumarin

Systematic Name

English

2H-1-Benzopyran-2-one, 3-bromo-6-nitro-

Systematic Name

English

3-Bromo-6-nitro-2H-1-benzopyran-2-one

Systematic Name

English

Coumarin, 3-bromo-6-nitro-

Systematic Name

English

NSC-10388

Code

English

3-Bromo-6-(hydroxy(oxido)amino)-2H-chromen-2-one

Systematic Name

English

Code System Code Type Description

PUBCHEM

223137

Created by admin on Sat Dec 16 13:15:43 GMT 2023 , Edited by admin on Sat Dec 16 13:15:43 GMT 2023

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NSC

10388

Created by admin on Sat Dec 16 13:15:43 GMT 2023 , Edited by admin on Sat Dec 16 13:15:43 GMT 2023

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EPA CompTox

DTXSID70202498

Created by admin on Sat Dec 16 13:15:43 GMT 2023 , Edited by admin on Sat Dec 16 13:15:43 GMT 2023

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FDA UNII

797G6M6EYD

Created by admin on Sat Dec 16 13:15:43 GMT 2023 , Edited by admin on Sat Dec 16 13:15:43 GMT 2023

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CAS

5415-73-6

Created by admin on Sat Dec 16 13:15:43 GMT 2023 , Edited by admin on Sat Dec 16 13:15:43 GMT 2023

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