3-Bromopropiophenone

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C9H9BrO
Molecular Weight	213.071
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-Bromopropiophenone

Structure Search

SMILES

CCC(=O)C1=CC(Br)=CC=C1

InChI

InChIKey=QSHLXVTVXQTHBS-UHFFFAOYSA-N

InChI=1S/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula	C9H9BrO
Molecular Weight	213.071
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 `Sat Dec 16 11:59:45 GMT 2023` Edited by `admin` on `Sat Dec 16 11:59:45 GMT 2023`
Record UNII	87RBK6TN9W
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3-Bromopropiophenone

Systematic Name

English

1-(3-Bromophenyl)-1-propanone

Systematic Name

English

3-Bromophenyl ethyl ketone

Systematic Name

English

1-Propanone, 1-(3-bromophenyl)-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID5066536

Created by admin on Sat Dec 16 11:59:45 GMT 2023 , Edited by admin on Sat Dec 16 11:59:45 GMT 2023

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PUBCHEM

88272

Created by admin on Sat Dec 16 11:59:45 GMT 2023 , Edited by admin on Sat Dec 16 11:59:45 GMT 2023

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ECHA (EC/EINECS)

243-353-8

Created by admin on Sat Dec 16 11:59:45 GMT 2023 , Edited by admin on Sat Dec 16 11:59:45 GMT 2023

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FDA UNII

87RBK6TN9W

Created by admin on Sat Dec 16 11:59:45 GMT 2023 , Edited by admin on Sat Dec 16 11:59:45 GMT 2023

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CAS

19829-31-3

Created by admin on Sat Dec 16 11:59:45 GMT 2023 , Edited by admin on Sat Dec 16 11:59:45 GMT 2023

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