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

Details

Stereochemistry ABSOLUTE
Molecular Formula C7H12BrClO
Molecular Weight 227.527
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (3R)-3-(Bromomethyl)hexanoyl chloride

SMILES

CCC[C@@H](CBr)CC(Cl)=O

InChI

InChIKey=WBXTVADBTVYKBI-ZCFIWIBFSA-N
InChI=1S/C7H12BrClO/c1-2-3-6(5-8)4-7(9)10/h6H,2-5H2,1H3/t6-/m1/s1

HIDE SMILES / InChI

Molecular Formula C7H12BrClO
Molecular Weight 227.527
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:43:43 GMT 2025
Edited
by admin
on Wed Apr 02 19:43:43 GMT 2025
Record UNII
LL46BNQ64E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3R)-3-(Bromomethyl)hexanoyl chloride
Systematic Name English
Hexanoyl chloride, 3-(bromomethyl)-, (3R)-
Preferred Name English
Code System Code Type Description
CAS
2101641-94-3
Created by admin on Wed Apr 02 19:43:43 GMT 2025 , Edited by admin on Wed Apr 02 19:43:43 GMT 2025
PRIMARY
PUBCHEM
141480109
Created by admin on Wed Apr 02 19:43:43 GMT 2025 , Edited by admin on Wed Apr 02 19:43:43 GMT 2025
PRIMARY
FDA UNII
LL46BNQ64E
Created by admin on Wed Apr 02 19:43:43 GMT 2025 , Edited by admin on Wed Apr 02 19:43:43 GMT 2025
PRIMARY