4-Butyl-2-nitrophenol

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H13NO3
Molecular Weight	195.2151
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Butyl-2-nitrophenol

Structure Search

SMILES

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

InChI

InChIKey=YNCKBAUMTMYXSC-UHFFFAOYSA-N

InChI=1S/C10H13NO3/c1-2-3-4-8-5-6-10(12)9(7-8)11(13)14/h5-7,12H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C10H13NO3
Molecular Weight	195.2151
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 19:26:20 GMT 2025` Edited by `admin` on `Tue Apr 01 19:26:20 GMT 2025`
Record UNII	D2ZYJ76T9A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Butyl-2-nitrophenol

Systematic Name

English

Phenol, 4-butyl-2-nitro-

Preferred Name

English

Code System Code Type Description

CAS

52899-59-9

Created by admin on Tue Apr 01 19:26:20 GMT 2025 , Edited by admin on Tue Apr 01 19:26:20 GMT 2025

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PUBCHEM

104353

Created by admin on Tue Apr 01 19:26:20 GMT 2025 , Edited by admin on Tue Apr 01 19:26:20 GMT 2025

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ECHA (EC/EINECS)

258-245-6

Created by admin on Tue Apr 01 19:26:20 GMT 2025 , Edited by admin on Tue Apr 01 19:26:20 GMT 2025

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FDA UNII

D2ZYJ76T9A

Created by admin on Tue Apr 01 19:26:20 GMT 2025 , Edited by admin on Tue Apr 01 19:26:20 GMT 2025

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EPA CompTox

DTXSID50200937

Created by admin on Tue Apr 01 19:26:20 GMT 2025 , Edited by admin on Tue Apr 01 19:26:20 GMT 2025

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