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Details

Stereochemistry ACHIRAL
Molecular Formula C9H11NO2
Molecular Weight 165.1891
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,2,4-TRIMETHYL-5-NITROBENZENE

SMILES

CC1=CC(C)=C(C=C1C)[N+]([O-])=O

InChI

InChIKey=WILMQVBUVCETSB-UHFFFAOYSA-N
InChI=1S/C9H11NO2/c1-6-4-8(3)9(10(11)12)5-7(6)2/h4-5H,1-3H3

HIDE SMILES / InChI

Molecular Formula C9H11NO2
Molecular Weight 165.1891
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 17:46:39 GMT 2025
Edited
by admin
on Tue Apr 01 17:46:39 GMT 2025
Record UNII
TYY6ZJ2QQV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,2,4-TRIMETHYL-5-NITROBENZENE
Systematic Name English
NSC-10997
Preferred Name English
5-NITROPSEUDOCUMENE
Common Name English
BENZENE, 1,2,4-TRIMETHYL-5-NITRO-
Systematic Name English
1-NITRO-2,4,5-TRIMETHYLBENZENE
Common Name English
2,4,5-TRIMETHYLNITROBENZENE
Common Name English
5-NITRO-1,2,4-TRIMETHYLBENZENE
Systematic Name English
Code System Code Type Description
PUBCHEM
69130
Created by admin on Tue Apr 01 17:46:39 GMT 2025 , Edited by admin on Tue Apr 01 17:46:39 GMT 2025
PRIMARY
NSC
10997
Created by admin on Tue Apr 01 17:46:39 GMT 2025 , Edited by admin on Tue Apr 01 17:46:39 GMT 2025
PRIMARY
FDA UNII
TYY6ZJ2QQV
Created by admin on Tue Apr 01 17:46:39 GMT 2025 , Edited by admin on Tue Apr 01 17:46:39 GMT 2025
PRIMARY
CAS
610-91-3
Created by admin on Tue Apr 01 17:46:39 GMT 2025 , Edited by admin on Tue Apr 01 17:46:39 GMT 2025
PRIMARY
ECHA (EC/EINECS)
210-238-9
Created by admin on Tue Apr 01 17:46:39 GMT 2025 , Edited by admin on Tue Apr 01 17:46:39 GMT 2025
PRIMARY
EPA CompTox
DTXSID70209866
Created by admin on Tue Apr 01 17:46:39 GMT 2025 , Edited by admin on Tue Apr 01 17:46:39 GMT 2025
PRIMARY