4-Bromoacetophenone

CAT: 1489-B6980-04Size: 500 gDry Ice: NoHazardous: No

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CAT#:1489-B6980-04Size:500 g

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CAS Number

99-90-1

Purity

0.98

Chemical Information

p-Bromoacetophenone

CAS Number	99-90-1
PubChem CID	7466
IUPAC Name	1-(4-bromophenyl)ethanone
Molecular Formula	C8H7BrO
Molecular Weight	199.04
XLogP	2.4
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	125

SMILES

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

InChI

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

InChIKey

WYECURVXVYPVAT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 99-90-1

CID: 7466

Formula: C8H7BrO

MW: 199.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	199.04
XLogP3	2.4
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	125
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
263158-01	4'-Bromoacetophenone
TRC-B679060-25G	4’-Bromoacetophenone
004588	4’-Bromoacetophenone-d4
CS-T-49601	4'-Bromoacetophenone-d4
sc-460810	4′-Bromoacetophenone-d4
B679061	4'-Bromoacetophenone-d7
MBA14851	3′-Amino-4′-bromoacetophenone
263159-01	4'-Bromoacetophenone ethylene acetal
259184-01	4'-Amino-2-bromoacetophenone
00486 00250	4-Bromoacetophenone 98% For Synthesis