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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H15ClO2
Molecular Weight 226.699
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of P-PENTOXYBENZOYL CHLORIDE

SMILES

CCCCCOC1=CC=C(C=C1)C(Cl)=O

InChI

InChIKey=IBQDPNHVFRFCFK-UHFFFAOYSA-N
InChI=1S/C12H15ClO2/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3

HIDE SMILES / InChI

Molecular Formula C12H15ClO2
Molecular Weight 226.699
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:29:53 GMT 2025
Edited
by admin
on Tue Apr 01 19:29:53 GMT 2025
Record UNII
7106R4S2OR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-7951
Preferred Name English
P-PENTOXYBENZOYL CHLORIDE
Systematic Name English
4-PENTYLOXYBENZOYL CHLORIDE
Systematic Name English
P-(PENTYLOXY)BENZOYL CHLORIDE
Systematic Name English
4-PENTYLOXYBENZOIC ACID CHLORIDE
Systematic Name English
4-(AMYLOXY)BENZOYL CHLORIDE
Systematic Name English
BENZOYL CHLORIDE, P-PENTYLOXY-
Systematic Name English
BENZOYL CHLORIDE, 4-(PENTYLOXY)-
Systematic Name English
4-(PENTYLOXY)BENZOYL CHLORIDE
Systematic Name English
Code System Code Type Description
PUBCHEM
94910
Created by admin on Tue Apr 01 19:29:53 GMT 2025 , Edited by admin on Tue Apr 01 19:29:53 GMT 2025
PRIMARY
FDA UNII
7106R4S2OR
Created by admin on Tue Apr 01 19:29:53 GMT 2025 , Edited by admin on Tue Apr 01 19:29:53 GMT 2025
PRIMARY
ECHA (EC/EINECS)
253-230-0
Created by admin on Tue Apr 01 19:29:53 GMT 2025 , Edited by admin on Tue Apr 01 19:29:53 GMT 2025
PRIMARY
NSC
7951
Created by admin on Tue Apr 01 19:29:53 GMT 2025 , Edited by admin on Tue Apr 01 19:29:53 GMT 2025
PRIMARY
CAS
36823-84-4
Created by admin on Tue Apr 01 19:29:53 GMT 2025 , Edited by admin on Tue Apr 01 19:29:53 GMT 2025
PRIMARY
EPA CompTox
DTXSID2068002
Created by admin on Tue Apr 01 19:29:53 GMT 2025 , Edited by admin on Tue Apr 01 19:29:53 GMT 2025
PRIMARY