3'-Iodoacetophenone

CAT: 0926-FI64536-02Size: 10 gDry Ice: NoHazardous: No

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CAT#:0926-FI64536-02Size:10 g

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CAS Number

14452-30-3

MDL Number

MFCD00060283

Smiles

CC (=O) C1=CC (=CC=C1) I

Molecular Formula

C8H7IO

Molecular Weight

246.05 g/mol

Controlled

Chemical Information

Ethanone, 1-(3-iodophenyl)-

CAS Number	14452-30-3
PubChem CID	84449
IUPAC Name	1-(3-iodophenyl)ethanone
Molecular Formula	C8H7IO
Molecular Weight	246.04
XLogP	3
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)I

InChI

InChI=1S/C8H7IO/c1-6(10)7-3-2-4-8(9)5-7/h2-5H,1H3

InChIKey

IWLHOUBDKCKJJQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14452-30-3

CID: 84449

Formula: C8H7IO

MW: 246.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	246.04
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	245.95416
Monoisotopic Mass	245.95416
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
FI55105-01	4'-Iodoacetophenone
FI67448	2'-Iodoacetophenone
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JMB17199-01	3,3,3-Trifluoropropanehydrazide
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