1-Butyl-2-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-2-nitrobenzene

Structure Search

SMILES

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

InChI

InChIKey=RSVIEXUVWMYRGB-UHFFFAOYSA-N

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

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 `Tue Apr 01 19:13:46 GMT 2025` Edited by `admin` on `Tue Apr 01 19:13:46 GMT 2025`
Record UNII	WG7T74H5V4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1-Butyl-2-nitrobenzene

Systematic Name

English

Benzene, 1-butyl-2-nitro-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID30221569

Created by admin on Tue Apr 01 19:13:46 GMT 2025 , Edited by admin on Tue Apr 01 19:13:46 GMT 2025

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PUBCHEM

81555

Created by admin on Tue Apr 01 19:13:46 GMT 2025 , Edited by admin on Tue Apr 01 19:13:46 GMT 2025

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FDA UNII

WG7T74H5V4

Created by admin on Tue Apr 01 19:13:46 GMT 2025 , Edited by admin on Tue Apr 01 19:13:46 GMT 2025

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CAS

7137-55-5

Created by admin on Tue Apr 01 19:13:46 GMT 2025 , Edited by admin on Tue Apr 01 19:13:46 GMT 2025

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ECHA (EC/EINECS)

230-435-3

Created by admin on Tue Apr 01 19:13:46 GMT 2025 , Edited by admin on Tue Apr 01 19:13:46 GMT 2025

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