BENZONITRILE, 2,5-DIMETHYL-4-NITRO-

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H8N2O2
Molecular Weight	176.172
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of BENZONITRILE, 2,5-DIMETHYL-4-NITRO-

Structure Search

SMILES

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

InChI

InChIKey=AIJHILQDGSFDQP-UHFFFAOYSA-N

InChI=1S/C9H8N2O2/c1-6-4-9(11(12)13)7(2)3-8(6)5-10/h3-4H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C9H8N2O2
Molecular Weight	176.172
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 13:01:10 GMT 2023` Edited by `admin` on `Sat Dec 16 13:01:10 GMT 2023`
Record UNII	98SW7QB5K2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

BENZONITRILE, 2,5-DIMETHYL-4-NITRO-

Systematic Name

English

2,5-DIMETHYL-4-NITROBENZONITRILE

Systematic Name

English

NSC-67712

Code

English

NSC-76088

Code

English

Code System Code Type Description

NSC

76088

Created by admin on Sat Dec 16 13:01:10 GMT 2023 , Edited by admin on Sat Dec 16 13:01:10 GMT 2023

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CAS

73713-69-6

Created by admin on Sat Dec 16 13:01:10 GMT 2023 , Edited by admin on Sat Dec 16 13:01:10 GMT 2023

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FDA UNII

98SW7QB5K2

Created by admin on Sat Dec 16 13:01:10 GMT 2023 , Edited by admin on Sat Dec 16 13:01:10 GMT 2023

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PUBCHEM

52273

Created by admin on Sat Dec 16 13:01:10 GMT 2023 , Edited by admin on Sat Dec 16 13:01:10 GMT 2023

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NSC

67712

Created by admin on Sat Dec 16 13:01:10 GMT 2023 , Edited by admin on Sat Dec 16 13:01:10 GMT 2023

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EPA CompTox

DTXSID50224017

Created by admin on Sat Dec 16 13:01:10 GMT 2023 , Edited by admin on Sat Dec 16 13:01:10 GMT 2023

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