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10177-06-7 | 3-Pyridinecarbonitrile, 2,6-dichloro-5-phenyl-
CAS No: 10177-06-7 Catalog No: AG0005G9 MDL No:MFCD00235086
Product Description
Catalog Number:
AG0005G9
Chemical Name:
3-Pyridinecarbonitrile, 2,6-dichloro-5-phenyl-
CAS Number:
10177-06-7
Molecular Formula:
C12H6Cl2N2
Molecular Weight:
249.0954
MDL Number:
MFCD00235086
IUPAC Name:
2,6-dichloro-5-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C12H6Cl2N2/c13-11-9(7-15)6-10(12(14)16-11)8-4-2-1-3-5-8/h1-6H
InChI Key:
USEKKVXWLMTDNW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(c2ccccc2)c(nc1Cl)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.094g/mol
Monoisotopic Mass:
247.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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