1-Butyl-3-nitrobenzene

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H13NO2
Molecular Weight	179.2157
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-Butyl-3-nitrobenzene

Structure Search

SMILES

CCCCC1=CC=CC(=C1)[N+]([O-])=O

InChI

InChIKey=INMYTBBXRJWIOA-UHFFFAOYSA-N

InChI=1S/C10H13NO2/c1-2-3-5-9-6-4-7-10(8-9)11(12)13/h4,6-8H,2-3,5H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H13NO2
Molecular Weight	179.2157
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 12:32:38 GMT 2023` Edited by `admin` on `Sat Dec 16 12:32:38 GMT 2023`
Record UNII	M9Q52R2W4L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Butyl-3-nitrobenzene

Systematic Name

English

Benzene, 1-butyl-3-nitro-

Systematic Name

English

Code System Code Type Description

PUBCHEM

88633

Created by admin on Sat Dec 16 12:32:38 GMT 2023 , Edited by admin on Sat Dec 16 12:32:38 GMT 2023

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CAS

20651-76-7

Created by admin on Sat Dec 16 12:32:38 GMT 2023 , Edited by admin on Sat Dec 16 12:32:38 GMT 2023

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EPA CompTox

DTXSID60174695

Created by admin on Sat Dec 16 12:32:38 GMT 2023 , Edited by admin on Sat Dec 16 12:32:38 GMT 2023

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ECHA (EC/EINECS)

243-943-5

Created by admin on Sat Dec 16 12:32:38 GMT 2023 , Edited by admin on Sat Dec 16 12:32:38 GMT 2023

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FDA UNII

M9Q52R2W4L

Created by admin on Sat Dec 16 12:32:38 GMT 2023 , Edited by admin on Sat Dec 16 12:32:38 GMT 2023

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