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1261727-25-6 | 2-(4-Chloro-3-methylbenzoyl)pyridine
CAS No: 1261727-25-6 Catalog No: AG01FDGQ MDL No:
Product Description
Catalog Number:
AG01FDGQ
Chemical Name:
2-(4-Chloro-3-methylbenzoyl)pyridine
CAS Number:
1261727-25-6
Molecular Formula:
C13H10ClNO
Molecular Weight:
231.6776
IUPAC Name:
(4-chloro-3-methylphenyl)-pyridin-2-ylmethanone
InChI:
InChI=1S/C13H10ClNO/c1-9-8-10(5-6-11(9)14)13(16)12-4-2-3-7-15-12/h2-8H,1H3
InChI Key:
LEUUUQVNSXUVND-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(c(c1)C)Cl)c1ccccn1
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:
2.9
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