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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 O-NITROCUMENE

SMILES

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

InChI

InChIKey=BSMKYQUHXQAVKG-UHFFFAOYSA-N
InChI=1S/C9H11NO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7H,1-2H3

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 Sat Dec 16 18:37:43 GMT 2023
Edited
by admin
on Sat Dec 16 18:37:43 GMT 2023
Record UNII
38NGV5BZ8W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-NITROCUMENE
Systematic Name English
1-(1-METHYLETHYL)-2-NITROBENZENE
Systematic Name English
O-NITROISOPROPYLBENZENE
Systematic Name English
1-NITRO-2-PROPAN-2-YLBENZENE
Systematic Name English
BENZENE, 1-(1-METHYLETHYL)-2-NITRO-
Systematic Name English
1-NITRO-2-(PROPAN-2-YL)BENZENE
Systematic Name English
2-ISOPROPYL-1-NITROBENZENE
Systematic Name English
2-NITROISOPROPYLBENZENE
Systematic Name English
O-ISOPROPYLNITROBENZENE
Systematic Name English
2-ISOPROPYLNITROBENZENE
Systematic Name English
1-ISOPROPYL-2-NITROBENZENE
Systematic Name English
Code System Code Type Description
CAS
6526-72-3
Created by admin on Sat Dec 16 18:37:43 GMT 2023 , Edited by admin on Sat Dec 16 18:37:43 GMT 2023
PRIMARY
ECHA (EC/EINECS)
229-415-7
Created by admin on Sat Dec 16 18:37:43 GMT 2023 , Edited by admin on Sat Dec 16 18:37:43 GMT 2023
PRIMARY
EPA CompTox
DTXSID80215574
Created by admin on Sat Dec 16 18:37:43 GMT 2023 , Edited by admin on Sat Dec 16 18:37:43 GMT 2023
PRIMARY
PUBCHEM
81013
Created by admin on Sat Dec 16 18:37:43 GMT 2023 , Edited by admin on Sat Dec 16 18:37:43 GMT 2023
PRIMARY
FDA UNII
38NGV5BZ8W
Created by admin on Sat Dec 16 18:37:43 GMT 2023 , Edited by admin on Sat Dec 16 18:37:43 GMT 2023
PRIMARY