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158978-16-6 | 3-(4-Chlorobenzoyl)-4-methylpyridine
CAS No: 158978-16-6 Catalog No: AG01FDMU MDL No:
Product Description
Catalog Number:
AG01FDMU
Chemical Name:
3-(4-Chlorobenzoyl)-4-methylpyridine
CAS Number:
158978-16-6
Molecular Formula:
C13H10ClNO
Molecular Weight:
231.6776
IUPAC Name:
(4-chlorophenyl)-(4-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C13H10ClNO/c1-9-6-7-15-8-12(9)13(16)10-2-4-11(14)5-3-10/h2-8H,1H3
InChI Key:
PUOZVHCKOAWFTE-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)c1cnccc1C
Properties
Complexity:
248
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:
2
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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