5-BROMOINDOLE-3-BUTYRIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12BrNO2
Molecular Weight	282.133
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-BROMOINDOLE-3-BUTYRIC ACID

Structure Search

SMILES

OC(=O)CCCC1=CNC2=C1C=C(Br)C=C2

InChI

InChIKey=JXXIGLYAOIPPCH-UHFFFAOYSA-N

InChI=1S/C12H12BrNO2/c13-9-4-5-11-10(6-9)8(7-14-11)2-1-3-12(15)16/h4-7,14H,1-3H2,(H,15,16)

HIDE SMILES / InChI

Molecular Formula	C12H12BrNO2
Molecular Weight	282.133
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 18:21:02 GMT 2023` Edited by `admin` on `Sat Dec 16 18:21:02 GMT 2023`
Record UNII	4TY6X896J4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-BROMOINDOLE-3-BUTYRIC ACID

Systematic Name

English

4-(5-BROMO-1H-INDOL-3-YL)BUTANOIC ACID

Systematic Name

English

1H-INDOLE-3-BUTANOIC ACID, 5-BROMO-

Systematic Name

English

5-BROMO-1H-INDOLE-3-BUTYRIC ACID

Systematic Name

English

Code System Code Type Description

CAS

13993-31-2

Created by admin on Sat Dec 16 18:21:02 GMT 2023 , Edited by admin on Sat Dec 16 18:21:02 GMT 2023

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ECHA (EC/EINECS)

237-794-5

Created by admin on Sat Dec 16 18:21:02 GMT 2023 , Edited by admin on Sat Dec 16 18:21:02 GMT 2023

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FDA UNII

4TY6X896J4

Created by admin on Sat Dec 16 18:21:02 GMT 2023 , Edited by admin on Sat Dec 16 18:21:02 GMT 2023

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PUBCHEM

84142

Created by admin on Sat Dec 16 18:21:02 GMT 2023 , Edited by admin on Sat Dec 16 18:21:02 GMT 2023

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EPA CompTox

DTXSID60161202

Created by admin on Sat Dec 16 18:21:02 GMT 2023 , Edited by admin on Sat Dec 16 18:21:02 GMT 2023

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