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1187167-83-4 | 2-Chloro-5-(3-methylbenzoyl)pyridine
CAS No: 1187167-83-4 Catalog No: AG01FDDJ MDL No:
Product Description
Catalog Number:
AG01FDDJ
Chemical Name:
2-Chloro-5-(3-methylbenzoyl)pyridine
CAS Number:
1187167-83-4
Molecular Formula:
C13H10ClNO
Molecular Weight:
231.6776
IUPAC Name:
(6-chloropyridin-3-yl)-(3-methylphenyl)methanone
InChI:
InChI=1S/C13H10ClNO/c1-9-3-2-4-10(7-9)13(16)11-5-6-12(14)15-8-11/h2-8H,1H3
InChI Key:
HSVBDHYCJXHSJK-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)C(=O)c1ccc(nc1)Cl
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:
3.5
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