4-Octylbenzoyl chloride

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H21ClO
Molecular Weight	252.78
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-Octylbenzoyl chloride

Structure Search

SMILES

CCCCCCCCC1=CC=C(C=C1)C(Cl)=O

InChI

InChIKey=NEKGDYGTJYCIRI-UHFFFAOYSA-N

InChI=1S/C15H21ClO/c1-2-3-4-5-6-7-8-13-9-11-14(12-10-13)15(16)17/h9-12H,2-8H2,1H3

HIDE SMILES / InChI

Molecular Formula	C15H21ClO
Molecular Weight	252.78
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 18:46:12 GMT 2025` Edited by `admin` on `Tue Apr 01 18:46:12 GMT 2025`
Record UNII	ACB4UMK7V3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-Octylbenzoyl chloride

Systematic Name

English

Benzoyl chloride, 4-octyl-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID1068560

Created by admin on Tue Apr 01 18:46:12 GMT 2025 , Edited by admin on Tue Apr 01 18:46:12 GMT 2025

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FDA UNII

ACB4UMK7V3

Created by admin on Tue Apr 01 18:46:12 GMT 2025 , Edited by admin on Tue Apr 01 18:46:12 GMT 2025

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ECHA (EC/EINECS)

256-649-7

Created by admin on Tue Apr 01 18:46:12 GMT 2025 , Edited by admin on Tue Apr 01 18:46:12 GMT 2025

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PUBCHEM

170865

Created by admin on Tue Apr 01 18:46:12 GMT 2025 , Edited by admin on Tue Apr 01 18:46:12 GMT 2025

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CAS

50606-97-8

Created by admin on Tue Apr 01 18:46:12 GMT 2025 , Edited by admin on Tue Apr 01 18:46:12 GMT 2025

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