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1187169-15-8 | 5-(3-Chlorobenzoyl)-2-methylpyridine
CAS No: 1187169-15-8 Catalog No: AG01FDE4 MDL No:
Product Description
Catalog Number:
AG01FDE4
Chemical Name:
5-(3-Chlorobenzoyl)-2-methylpyridine
CAS Number:
1187169-15-8
Molecular Formula:
C13H10ClNO
Molecular Weight:
231.6776
IUPAC Name:
(3-chlorophenyl)-(6-methylpyridin-3-yl)methanone
InChI:
InChI=1S/C13H10ClNO/c1-9-5-6-11(8-15-9)13(16)10-3-2-4-12(14)7-10/h2-8H,1H3
InChI Key:
AFAVTYYJYORUMA-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(=O)c1ccc(nc1)C
Properties
Complexity:
256
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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