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

Details

Stereochemistry RACEMIC
Molecular Formula C5H9BrO2
Molecular Weight 181.028
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

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

SMILES

CC(C)C(Br)C(O)=O

InChI

InChIKey=UEBARDWJXBGYEJ-UHFFFAOYSA-N
InChI=1S/C5H9BrO2/c1-3(2)4(6)5(7)8/h3-4H,1-2H3,(H,7,8)

HIDE SMILES / InChI

Molecular Formula C5H9BrO2
Molecular Weight 181.028
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:38:01 GMT 2023
Edited
by admin
on Sat Dec 16 09:38:01 GMT 2023
Record UNII
M69LGV465C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
.ALPHA.-BROMOISOVALERIC ACID
MI  
Systematic Name English
2-BROMO-3-METHYLBUTANOIC ACID
Systematic Name English
NSC-6967
Code English
NSC-167
Code English
(±)-.ALPHA.-BROMOISOPENTANOIC ACID
Common Name English
.ALPHA.-BROMOISOVALERIC ACID [MI]
Common Name English
2-BROMO-3-METHYLBUTYRIC ACID
Systematic Name English
2-BROMOISOVALERIC ACID
Systematic Name English
BUTANOIC ACID, 2-BROMO-3-METHYL-
Systematic Name English
DL-.ALPHA.-BROMO-.BETA.-METHYLBUTYRIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
M69LGV465C
Created by admin on Sat Dec 16 09:38:01 GMT 2023 , Edited by admin on Sat Dec 16 09:38:01 GMT 2023
PRIMARY
PUBCHEM
11268
Created by admin on Sat Dec 16 09:38:01 GMT 2023 , Edited by admin on Sat Dec 16 09:38:01 GMT 2023
PRIMARY
NSC
167
Created by admin on Sat Dec 16 09:38:01 GMT 2023 , Edited by admin on Sat Dec 16 09:38:01 GMT 2023
PRIMARY
CAS
565-74-2
Created by admin on Sat Dec 16 09:38:01 GMT 2023 , Edited by admin on Sat Dec 16 09:38:01 GMT 2023
PRIMARY
EPA CompTox
DTXSID30870617
Created by admin on Sat Dec 16 09:38:01 GMT 2023 , Edited by admin on Sat Dec 16 09:38:01 GMT 2023
PRIMARY
ECHA (EC/EINECS)
209-291-0
Created by admin on Sat Dec 16 09:38:01 GMT 2023 , Edited by admin on Sat Dec 16 09:38:01 GMT 2023
PRIMARY
NSC
6967
Created by admin on Sat Dec 16 09:38:01 GMT 2023 , Edited by admin on Sat Dec 16 09:38:01 GMT 2023
PRIMARY
MERCK INDEX
m2702
Created by admin on Sat Dec 16 09:38:01 GMT 2023 , Edited by admin on Sat Dec 16 09:38:01 GMT 2023
PRIMARY Merck Index
Related Record Type Details
ACTIVE MOIETY