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

Details

Stereochemistry ACHIRAL
Molecular Formula C7H6ClNO4S
Molecular Weight 235.645
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-NITRO-O-TOLUENESULFONYL CHLORIDE

SMILES

CC1=CC=C(C=C1S(Cl)(=O)=O)[N+]([O-])=O

InChI

InChIKey=WPGVQDHXOUAJBW-UHFFFAOYSA-N
InChI=1S/C7H6ClNO4S/c1-5-2-3-6(9(10)11)4-7(5)14(8,12)13/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C7H6ClNO4S
Molecular Weight 235.645
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 12:16:49 GMT 2023
Edited
by admin
on Sat Dec 16 12:16:49 GMT 2023
Record UNII
Y7R9YZ83FS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-NITRO-O-TOLUENESULFONYL CHLORIDE
Systematic Name English
NSC-49752
Code English
2-METHYL-5-NITROBENZENESULFONYL CHLORIDE
Systematic Name English
2-METHYL-5-NITROBENZENESULPHONYL CHLORIDE
Systematic Name English
BENZENESULFONYL CHLORIDE, 2-METHYL-5-NITRO-
Systematic Name English
4-NITROTOLUENE-2-SULPHONYL CHLORIDE
Systematic Name English
4-NITROTOLUENE-2-SULFONYL CHLORIDE
Systematic Name English
O-TOLUENESULFONYL CHLORIDE, 5-NITRO-
Common Name English
Code System Code Type Description
PUBCHEM
8457
Created by admin on Sat Dec 16 12:16:49 GMT 2023 , Edited by admin on Sat Dec 16 12:16:49 GMT 2023
PRIMARY
CAS
121-02-8
Created by admin on Sat Dec 16 12:16:49 GMT 2023 , Edited by admin on Sat Dec 16 12:16:49 GMT 2023
PRIMARY
NSC
49752
Created by admin on Sat Dec 16 12:16:49 GMT 2023 , Edited by admin on Sat Dec 16 12:16:49 GMT 2023
PRIMARY
EPA CompTox
DTXSID10153096
Created by admin on Sat Dec 16 12:16:49 GMT 2023 , Edited by admin on Sat Dec 16 12:16:49 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-444-8
Created by admin on Sat Dec 16 12:16:49 GMT 2023 , Edited by admin on Sat Dec 16 12:16:49 GMT 2023
PRIMARY
FDA UNII
Y7R9YZ83FS
Created by admin on Sat Dec 16 12:16:49 GMT 2023 , Edited by admin on Sat Dec 16 12:16:49 GMT 2023
PRIMARY