CAS 34841-35-5 | 1-(3-Chlorophenyl)propan-1-one | CAS Number 34841-35-5

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34841-35-5 | 1-(3-Chlorophenyl)propan-1-one

CAS No: 34841-35-5 Catalog No: AG003ISG MDL No:MFCD00009925

Product Description

Catalog Number:

AG003ISG

Chemical Name:

1-(3-Chlorophenyl)propan-1-one

CAS Number:

34841-35-5

Molecular Formula:

C9H9ClO

Molecular Weight:

168.6202

MDL Number:

MFCD00009925

IUPAC Name:

1-(3-chlorophenyl)propan-1-one

InChI:

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

InChI Key:

PQWGFUFROKIJBO-UHFFFAOYSA-N

SMILES:

CCC(=O)c1cccc(c1)Cl

EC Number:

252-242-3

UNII:

2697RI8Z48

Properties

Complexity:

145

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.034g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.62g/mol

Monoisotopic Mass:

168.034g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

17.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

Literature

Title	Journal
Vibrational spectroscopy investigation using ab initio and density functional theory on 3'-chloropropiophenone and 3'-nitropropiophenone.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20100201
Global antifungal profile optimization of chlorophenyl derivatives against Botrytis cinerea and Colletotrichum gloeosporioides.	Journal of agricultural and food chemistry 20090610