3''-Chloropropiophenone

CAT: 0862-GX9281-100gSize: 100 gDry Ice: NoHazardous: No

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CAT#:0862-GX9281-100gSize:100 g

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CAS Number

34841-35-5

EC Number

252-242-3

MDL Number

MFCD00009925

HS Code

2914790050

Purity

99.00%

Molecular Formula

C9H9ClO

Molecular Weight

168.62

Storage Conditions

+20°C

Hazardous Class

Not hazardous

Chemical Information

3'-Chloropropiophenone

CAS Number	34841-35-5
PubChem CID	587128
IUPAC Name	1-(3-chlorophenyl)propan-1-one
Molecular Formula	C9H9ClO
Molecular Weight	168.62
XLogP	3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	11
Formal Charge	0
Complexity	144

SMILES

CCC(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C9H9ClO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3

InChIKey

PQWGFUFROKIJBO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 34841-35-5

CID: 587128

Formula: C9H9ClO

MW: 168.62

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	168.62
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	168.0341926
Monoisotopic Mass	168.0341926
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	144
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

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Alternative Products

Catalog	Name
160846	3'-Chloropropiophenone
HY-107857	3-Chloropropiophenone
AR-B02276-01	Chloropropiophenone
231840-01	3-Chloropropiophenone 99+% (HPLC)
sc-506996	4'-Methyl-3-chloropropiophenone

3''-Chloropropiophenone

Chemical Information

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