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Details

Stereochemistry RACEMIC
Molecular Formula C9H9BrO2
Molecular Weight 229.071
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .BETA.-BROMOBENZENEPROPANOIC ACID

SMILES

OC(=O)CC(Br)C1=CC=CC=C1

InChI

InChIKey=JQRMHJWFYKSDNQ-UHFFFAOYSA-N
InChI=1S/C9H9BrO2/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5,8H,6H2,(H,11,12)

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-16255
Preferred Name English
.BETA.-BROMOBENZENEPROPANOIC ACID
Systematic Name English
3-BROMO-3-PHENYLPROPANOIC ACID
Systematic Name English
BENZENEPROPANOIC ACID, BETA-BROMO-
Common Name English
3-BROMO-3-PHENYLPROPIONIC ACID
Systematic Name English
BENZENEPROPANOIC ACID, .BETA.-BROMO-
Systematic Name English
3-BROMOHYDROCINNAMIC ACID
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID501034190
Created by admin on Mon Mar 31 23:18:25 GMT 2025 , Edited by admin on Mon Mar 31 23:18:25 GMT 2025
PRIMARY
CAS
15463-91-9
Created by admin on Mon Mar 31 23:18:25 GMT 2025 , Edited by admin on Mon Mar 31 23:18:25 GMT 2025
PRIMARY
NSC
16255
Created by admin on Mon Mar 31 23:18:25 GMT 2025 , Edited by admin on Mon Mar 31 23:18:25 GMT 2025
PRIMARY
FDA UNII
D7A2B6228P
Created by admin on Mon Mar 31 23:18:25 GMT 2025 , Edited by admin on Mon Mar 31 23:18:25 GMT 2025
PRIMARY
PUBCHEM
226117
Created by admin on Mon Mar 31 23:18:25 GMT 2025 , Edited by admin on Mon Mar 31 23:18:25 GMT 2025
PRIMARY