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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H11ClO
Molecular Weight 182.647
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4?-Chlorobutyrophenone

SMILES

CCCC(=O)C1=CC=C(Cl)C=C1

InChI

InChIKey=XLCJPQYALLFIPW-UHFFFAOYSA-N
InChI=1S/C10H11ClO/c1-2-3-10(12)8-4-6-9(11)7-5-8/h4-7H,2-3H2,1H3

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4?-Chlorobutyrophenone
Systematic Name English
1-(4-Chlorophenyl)-1-butanone
Preferred Name English
1-Butanone, 1-(4-chlorophenyl)-
Systematic Name English
Code System Code Type Description
CAS
4981-63-9
Created by admin on Wed Apr 02 12:51:56 GMT 2025 , Edited by admin on Wed Apr 02 12:51:56 GMT 2025
PRIMARY
EPA CompTox
DTXSID50870811
Created by admin on Wed Apr 02 12:51:56 GMT 2025 , Edited by admin on Wed Apr 02 12:51:56 GMT 2025
PRIMARY
PUBCHEM
70321
Created by admin on Wed Apr 02 12:51:56 GMT 2025 , Edited by admin on Wed Apr 02 12:51:56 GMT 2025
PRIMARY
FDA UNII
Q8PTC88P96
Created by admin on Wed Apr 02 12:51:56 GMT 2025 , Edited by admin on Wed Apr 02 12:51:56 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966