4?-Bromovalerophenone

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H13BrO
Molecular Weight	241.124
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4?-Bromovalerophenone

Structure Search

SMILES

CCCCC(=O)C1=CC=C(Br)C=C1

InChI

InChIKey=STYJKBMRWQQJIS-UHFFFAOYSA-N

InChI=1S/C11H13BrO/c1-2-3-4-11(13)9-5-7-10(12)8-6-9/h5-8H,2-4H2,1H3

HIDE SMILES / InChI

Molecular Formula	C11H13BrO
Molecular Weight	241.124
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 19:23:11 GMT 2025` Edited by `admin` on `Tue Apr 01 19:23:11 GMT 2025`
Record UNII	U4DG7YYR5Q
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-76560

Preferred Name

English

4?-Bromovalerophenone

Systematic Name

English

1-Pentanone, 1-(4-bromophenyl)-

Systematic Name

English

1-(4-Bromophenyl)-1-pentanone

Systematic Name

English

4?-Bromopentanophenone

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID40223236

Created by admin on Tue Apr 01 19:23:11 GMT 2025 , Edited by admin on Tue Apr 01 19:23:11 GMT 2025

PRIMARY

FDA UNII

U4DG7YYR5Q

Created by admin on Tue Apr 01 19:23:11 GMT 2025 , Edited by admin on Tue Apr 01 19:23:11 GMT 2025

PRIMARY

PUBCHEM

81717

Created by admin on Tue Apr 01 19:23:11 GMT 2025 , Edited by admin on Tue Apr 01 19:23:11 GMT 2025

PRIMARY

CAS

7295-44-5

Created by admin on Tue Apr 01 19:23:11 GMT 2025 , Edited by admin on Tue Apr 01 19:23:11 GMT 2025

PRIMARY

ECHA (EC/EINECS)

230-729-1

Created by admin on Tue Apr 01 19:23:11 GMT 2025 , Edited by admin on Tue Apr 01 19:23:11 GMT 2025

PRIMARY

NSC

76560

Created by admin on Tue Apr 01 19:23:11 GMT 2025 , Edited by admin on Tue Apr 01 19:23:11 GMT 2025

PRIMARY