Home Halogens Ethanone, 1-(4-chlorophenyl)-2-(3-pyridinyl)-

Ethanone, 1-(4-chlorophenyl)-2-(3-pyridinyl)-

CAS No.:
58158-57-9
Catalog Number:
AG00IACM
Molecular Formula:
C13H10ClNO
Molecular Weight:
231.6776
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Product Description
Catalog Number:
AG00IACM
Chemical Name:
Ethanone, 1-(4-chlorophenyl)-2-(3-pyridinyl)-
CAS Number:
58158-57-9
Molecular Formula:
C13H10ClNO
Molecular Weight:
231.6776
MDL Number:
MFCD02271259
IUPAC Name:
1-(4-chlorophenyl)-2-pyridin-3-ylethanone
InChI:
InChI=1S/C13H10ClNO/c14-12-5-3-11(4-6-12)13(16)8-10-2-1-7-15-9-10/h1-7,9H,8H2
InChI Key:
XPSQHYPYPLUYAC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)Cc1cccnc1
Properties
Complexity:
236  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.045g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.679g/mol
Monoisotopic Mass:
231.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties