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14548-44-8 | Methanone, (4-chlorophenyl)-3-pyridinyl-
CAS No: 14548-44-8 Catalog No: AG001D2Y MDL No:MFCD00065043
Product Description
Catalog Number:
AG001D2Y
Chemical Name:
Methanone, (4-chlorophenyl)-3-pyridinyl-
CAS Number:
14548-44-8
Molecular Formula:
C12H8ClNO
Molecular Weight:
217.6510
MDL Number:
MFCD00065043
IUPAC Name:
(4-chlorophenyl)-pyridin-3-ylmethanone
InChI:
InChI=1S/C12H8ClNO/c13-11-5-3-9(4-6-11)12(15)10-2-1-7-14-8-10/h1-8H
InChI Key:
VZWGUDFNQIAHEY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1cccnc1
EC Number:
238-584-6
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.029g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.652g/mol
Monoisotopic Mass:
217.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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