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

Details

Stereochemistry ACHIRAL
Molecular Formula C8H7ClO2
Molecular Weight 170.593
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CHLOROMETHYL BENZOATE

SMILES

ClCOC(=O)C1=CC=CC=C1

InChI

InChIKey=BOXZXICVMMSYPE-UHFFFAOYSA-N
InChI=1S/C8H7ClO2/c9-6-11-8(10)7-4-2-1-3-5-7/h1-5H,6H2

HIDE SMILES / InChI

Molecular Formula C8H7ClO2
Molecular Weight 170.593
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 Sat Dec 16 12:55:57 GMT 2023
Edited
by admin
on Sat Dec 16 12:55:57 GMT 2023
Record UNII
9K5D6QG3XN
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CHLOROMETHYL BENZOATE
Systematic Name English
METHANOL, CHLORO-, BENZOATE
Systematic Name English
METHANOL, 1-CHLORO-, 1-BENZOATE
Systematic Name English
NSC-2876
Code English
Code System Code Type Description
PUBCHEM
79257
Created by admin on Sat Dec 16 12:55:57 GMT 2023 , Edited by admin on Sat Dec 16 12:55:57 GMT 2023
PRIMARY
NSC
2876
Created by admin on Sat Dec 16 12:55:57 GMT 2023 , Edited by admin on Sat Dec 16 12:55:57 GMT 2023
PRIMARY
CAS
5335-05-7
Created by admin on Sat Dec 16 12:55:57 GMT 2023 , Edited by admin on Sat Dec 16 12:55:57 GMT 2023
PRIMARY
ECHA (EC/EINECS)
226-254-4
Created by admin on Sat Dec 16 12:55:57 GMT 2023 , Edited by admin on Sat Dec 16 12:55:57 GMT 2023
PRIMARY
EPA CompTox
DTXSID30967975
Created by admin on Sat Dec 16 12:55:57 GMT 2023 , Edited by admin on Sat Dec 16 12:55:57 GMT 2023
PRIMARY
FDA UNII
9K5D6QG3XN
Created by admin on Sat Dec 16 12:55:57 GMT 2023 , Edited by admin on Sat Dec 16 12:55:57 GMT 2023
PRIMARY