1-CHLORO-3-PENTANONE

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C5H9ClO
Molecular Weight	120.577
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 1-CHLORO-3-PENTANONE

Structure Search

SMILES

CCC(=O)CCCl

InChI

InChIKey=APNSUHRNUVUCIP-UHFFFAOYSA-N

InChI=1S/C5H9ClO/c1-2-5(7)3-4-6/h2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C5H9ClO
Molecular Weight	120.577
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 17:06:56 GMT 2025` Edited by `admin` on `Tue Apr 01 17:06:56 GMT 2025`
Record UNII	9NZH8TUZ4A
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-78422

Preferred Name

English

1-CHLORO-3-PENTANONE

Systematic Name

English

3-PENTANONE, 1-CHLORO-

Systematic Name

English

1-CHLOROPENTAN-3-ONE

Systematic Name

English

Code System Code Type Description

PUBCHEM

96526

Created by admin on Tue Apr 01 17:06:56 GMT 2025 , Edited by admin on Tue Apr 01 17:06:56 GMT 2025

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ECHA (EC/EINECS)

251-247-8

Created by admin on Tue Apr 01 17:06:56 GMT 2025 , Edited by admin on Tue Apr 01 17:06:56 GMT 2025

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CAS

32830-97-0

Created by admin on Tue Apr 01 17:06:56 GMT 2025 , Edited by admin on Tue Apr 01 17:06:56 GMT 2025

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EPA CompTox

DTXSID9067724

Created by admin on Tue Apr 01 17:06:56 GMT 2025 , Edited by admin on Tue Apr 01 17:06:56 GMT 2025

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NSC

78422

Created by admin on Tue Apr 01 17:06:56 GMT 2025 , Edited by admin on Tue Apr 01 17:06:56 GMT 2025

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FDA UNII

9NZH8TUZ4A

Created by admin on Tue Apr 01 17:06:56 GMT 2025 , Edited by admin on Tue Apr 01 17:06:56 GMT 2025

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