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Details

Stereochemistry ACHIRAL
Molecular Formula C7H6ClNO2
Molecular Weight 171.581
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-CHLORO-4-NITROTOLUENE

SMILES

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

InChI

InChIKey=KGSQRFPDZCBVBS-UHFFFAOYSA-N
InChI=1S/C7H6ClNO2/c1-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3

HIDE SMILES / InChI

Molecular Formula C7H6ClNO2
Molecular Weight 171.581
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 12:23:41 GMT 2023
Edited
by admin
on Sat Dec 16 12:23:41 GMT 2023
Record UNII
DSC68C64BS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-CHLORO-4-NITROTOLUENE
Systematic Name English
1-CHLORO-5-METHYL-2-NITROBENZENE
Systematic Name English
1-METHYL-3-CHLORO-4-NITROBENZENE
Systematic Name English
5-METHYL-2-NITROCHLOROBENZENE
Systematic Name English
2-CHLORO-4-METHYL-1-NITROBENZENE
Systematic Name English
2-CHLORO-4-METHYLNITROBENZENE
Systematic Name English
BENZENE, 2-CHLORO-4-METHYL-1-NITRO-
Systematic Name English
Code System Code Type Description
PUBCHEM
123478
Created by admin on Sat Dec 16 12:23:41 GMT 2023 , Edited by admin on Sat Dec 16 12:23:41 GMT 2023
PRIMARY
ECHA (EC/EINECS)
254-199-6
Created by admin on Sat Dec 16 12:23:41 GMT 2023 , Edited by admin on Sat Dec 16 12:23:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID10192228
Created by admin on Sat Dec 16 12:23:41 GMT 2023 , Edited by admin on Sat Dec 16 12:23:41 GMT 2023
PRIMARY
FDA UNII
DSC68C64BS
Created by admin on Sat Dec 16 12:23:41 GMT 2023 , Edited by admin on Sat Dec 16 12:23:41 GMT 2023
PRIMARY
CAS
38939-88-7
Created by admin on Sat Dec 16 12:23:41 GMT 2023 , Edited by admin on Sat Dec 16 12:23:41 GMT 2023
PRIMARY