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88148-66-7 | 3-Pyridinecarbonitrile, 4-(2-chlorophenyl)-1,2-dihydro-2-oxo-
CAS No: 88148-66-7 Catalog No: AG004D3M MDL No:
Product Description
Catalog Number:
AG004D3M
Chemical Name:
3-Pyridinecarbonitrile, 4-(2-chlorophenyl)-1,2-dihydro-2-oxo-
CAS Number:
88148-66-7
Molecular Formula:
C12H7ClN2O
Molecular Weight:
230.6498
IUPAC Name:
4-(2-chlorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C12H7ClN2O/c13-11-4-2-1-3-9(11)8-5-6-15-12(16)10(8)7-14/h1-6H,(H,15,16)
InChI Key:
JSYONPYPENKRRM-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]ccc1c1ccccc1Cl
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.025g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.651g/mol
Monoisotopic Mass:
230.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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