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1187171-36-3 | 2-Chloro-5-(4-cyanobenzoyl)pyridine
CAS No: 1187171-36-3 Catalog No: AG01FDTG MDL No:
Product Description
Catalog Number:
AG01FDTG
Chemical Name:
2-Chloro-5-(4-cyanobenzoyl)pyridine
CAS Number:
1187171-36-3
Molecular Formula:
C13H7ClN2O
Molecular Weight:
242.6605
IUPAC Name:
4-(6-chloropyridine-3-carbonyl)benzonitrile
InChI:
InChI=1S/C13H7ClN2O/c14-12-6-5-11(8-16-12)13(17)10-3-1-9(7-15)2-4-10/h1-6,8H
InChI Key:
YWUHERVQQOUMFF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(=O)c1ccc(nc1)Cl
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.025g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.662g/mol
Monoisotopic Mass:
242.025g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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