2-Nitromesitylene

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NCATS

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 2-Nitromesitylene

Structure Search

SMILES

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

InChI

InChIKey=SCEKDQTVGHRSNS-UHFFFAOYSA-N

InChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/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 `Sat Dec 16 12:00:36 GMT 2023` Edited by `admin` on `Sat Dec 16 12:00:36 GMT 2023`
Record UNII	AKZ2NK5ME7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-Nitromesitylene

Systematic Name

English

Mesitylene, 2-nitro-

Systematic Name

English

1,3,5-Trimethyl-2-nitrobenzene

Systematic Name

English

2,4,6-Trimethylnitrobenzene

Common Name

English

2,4,6-Trimethyl-1-nitrobenzene

Common Name

English

Benzene, 1,3,5-trimethyl-2-nitro-

Systematic Name

English

NSC-5413

Code

English

Code System Code Type Description

EPA CompTox

DTXSID8060533

Created by admin on Sat Dec 16 12:00:36 GMT 2023 , Edited by admin on Sat Dec 16 12:00:36 GMT 2023

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FDA UNII

AKZ2NK5ME7

Created by admin on Sat Dec 16 12:00:36 GMT 2023 , Edited by admin on Sat Dec 16 12:00:36 GMT 2023

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PUBCHEM

69051

Created by admin on Sat Dec 16 12:00:36 GMT 2023 , Edited by admin on Sat Dec 16 12:00:36 GMT 2023

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CAS

603-71-4

Created by admin on Sat Dec 16 12:00:36 GMT 2023 , Edited by admin on Sat Dec 16 12:00:36 GMT 2023

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NSC

5413

Created by admin on Sat Dec 16 12:00:36 GMT 2023 , Edited by admin on Sat Dec 16 12:00:36 GMT 2023

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ECHA (EC/EINECS)

210-054-9

Created by admin on Sat Dec 16 12:00:36 GMT 2023 , Edited by admin on Sat Dec 16 12:00:36 GMT 2023

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