3'-Bromoacetophenone

CAT: 0926-FB34687-05Size: 10 KgDry Ice: NoHazardous: No

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CAT#:0926-FB34687-05Size:10 Kg

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CAS Number

2142-63-4

Synonyms

1-Acetyl-3-bromobenzene

MDL Number

MFCD00000083

Smiles

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

Molecular Formula

C8H7BrO

Molecular Weight

199.04 g/mol

Controlled

Chemical Information

3'-Bromoacetophenone

CAS Number	2142-63-4
PubChem CID	16502
IUPAC Name	1-(3-bromophenyl)ethanone
Molecular Formula	C8H7BrO
Molecular Weight	199.04
XLogP	2.6
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	133

SMILES

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

InChI

InChI=1S/C8H7BrO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3

InChIKey

JYAQYXOVOHJRCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2142-63-4

CID: 16502

Formula: C8H7BrO

MW: 199.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.04
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	197.96803
Monoisotopic Mass	197.96803
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	133
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
MBA14851	3′-Amino-4′-bromoacetophenone
FB70806-01	2'-Bromoacetophenone
FC20014	2'-Chloro-2-bromoacetophenone
QMC01729-01	3- (3,3,3-Trifluoropropoxy) pyridine
JFC42829-01	3- (3,3,3-Trifluoropropyl) aniline
PDC53711-01	3- (3,3,3-Trifluoropropoxy) piperidine
JMB17199-01	3,3,3-Trifluoropropanehydrazide
QPA42834	3,3,3-Trifluoropropanethioamide
QDC45219-01	3- (3-Chloropropanoyl) -1- (3,3,3-trifluoropropyl) urea
RXB09628-01	Methyl 3- (3,3-difluorocyclobutyl) -3-oxopropanoate

Catalog	Name
264055-01	3'-Bromoacetophenone
S-524	3-Bromoacetophenone - 1ML
266379-01	2-Bromo-3'-bromoacetophenone
sc-226853	4'-Acetamido-3'-bromoacetophenone
30930-01	3-Bromoacetophenone extrapure, 99%
232355-01	3'-Bromoacetophenone 98+% (GC)
OR480776-01	4-Amino-3-bromoacetophenone
TRC-B679060-25G	4’-Bromoacetophenone
HY-W007689-01	2'-Bromoacetophenone
264267-01	2-Bromoacetophenone