U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C4H7BrO2
Molecular Weight 167.001
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of .ALPHA.-BROMOBUTYRIC ACID

SMILES

CCC(Br)C(O)=O

InChI

InChIKey=YAQLSKVCTLCIIE-UHFFFAOYSA-N
InChI=1S/C4H7BrO2/c1-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)

HIDE SMILES / InChI

Approval Year

Name Type Language
.ALPHA.-BROMOBUTYRIC ACID
MI  
Systematic Name English
(±)-2-BROMOBUTANOIC ACID
Systematic Name English
BUTANOIC ACID, 2-BROMO-
Systematic Name English
(RS)-.ALPHA.-BROMOBUTYRIC ACID
Systematic Name English
.ALPHA.-BROMOBUTYRIC ACID [MI]
Common Name English
DL-.ALPHA.-BROMOBUTYRIC ACID
Common Name English
2-BROMOBUTANOIC ACID
Systematic Name English
.ALPHA.-BROMO-N-BUTYRIC ACID
Common Name English
(±)-.ALPHA.-BROMOBUTANOIC ACID
Systematic Name English
NSC-8024
Code English
2-BROMOBUTYRIC ACID
Systematic Name English
.ALPHA.-BROMOBUTYRIC ACID, (±)-
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID90861642
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
PRIMARY
FDA UNII
MCO6PW23BT
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
PRIMARY
CAS
80-58-0
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
PRIMARY
PUBCHEM
6655
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
PRIMARY
WIKIPEDIA
2-Bromobutyric acid
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
PRIMARY
NSC
8024
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
PRIMARY
MERCK INDEX
m2690
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
PRIMARY Merck Index
ECHA (EC/EINECS)
201-294-5
Created by admin on Sat Dec 16 10:32:06 GMT 2023 , Edited by admin on Sat Dec 16 10:32:06 GMT 2023
PRIMARY