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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H10ClNO4
Molecular Weight 243.644
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-CHLOROETHYL 3-NITRO-P-TOLUATE

SMILES

CC1=C(C=C(C=C1)C(=O)OCCCl)[N+]([O-])=O

InChI

InChIKey=FHTNGTPVGWEJPG-UHFFFAOYSA-N
InChI=1S/C10H10ClNO4/c1-7-2-3-8(6-9(7)12(14)15)10(13)16-5-4-11/h2-3,6H,4-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H10ClNO4
Molecular Weight 243.644
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 17:34:17 GMT 2023
Edited
by admin
on Sat Dec 16 17:34:17 GMT 2023
Record UNII
QLF52T6EX7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-CHLOROETHYL 3-NITRO-P-TOLUATE
Systematic Name English
Code System Code Type Description
PUBCHEM
101032
Created by admin on Sat Dec 16 17:34:17 GMT 2023 , Edited by admin on Sat Dec 16 17:34:17 GMT 2023
PRIMARY
CAS
59383-11-8
Created by admin on Sat Dec 16 17:34:17 GMT 2023 , Edited by admin on Sat Dec 16 17:34:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID00974797
Created by admin on Sat Dec 16 17:34:17 GMT 2023 , Edited by admin on Sat Dec 16 17:34:17 GMT 2023
PRIMARY
FDA UNII
QLF52T6EX7
Created by admin on Sat Dec 16 17:34:17 GMT 2023 , Edited by admin on Sat Dec 16 17:34:17 GMT 2023
PRIMARY