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1299492-96-8 | 3-Pyridinecarbonitrile, 2,6-dichloro-5-(phenylmethyl)-
CAS No: 1299492-96-8 Catalog No: AG000TSW MDL No:
Product Description
Catalog Number:
AG000TSW
Chemical Name:
3-Pyridinecarbonitrile, 2,6-dichloro-5-(phenylmethyl)-
CAS Number:
1299492-96-8
Molecular Formula:
C13H8Cl2N2
Molecular Weight:
263.1220
IUPAC Name:
5-benzyl-2,6-dichloropyridine-3-carbonitrile
InChI:
InChI=1S/C13H8Cl2N2/c14-12-10(6-9-4-2-1-3-5-9)7-11(8-16)13(15)17-12/h1-5,7H,6H2
InChI Key:
DQMDAXBVCMUVRY-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Cc2ccccc2)c(nc1Cl)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.006g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.121g/mol
Monoisotopic Mass:
262.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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