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15042-76-9 | 3-Pyridinecarbonitrile, 1-[(2,6-dichlorophenyl)methyl]-1,6-dihydro-
CAS No: 15042-76-9 Catalog No: AG001MMJ MDL No:
Product Description
Catalog Number:
AG001MMJ
Chemical Name:
3-Pyridinecarbonitrile, 1-[(2,6-dichlorophenyl)methyl]-1,6-dihydro-
CAS Number:
15042-76-9
Molecular Formula:
C13H10Cl2N2
Molecular Weight:
265.1379
IUPAC Name:
1-[(2,6-dichlorophenyl)methyl]-2H-pyridine-5-carbonitrile
InChI:
InChI=1S/C13H10Cl2N2/c14-12-4-1-5-13(15)11(12)9-17-6-2-3-10(7-16)8-17/h1-5,8H,6,9H2
InChI Key:
XSPLGARAZZDZIS-UHFFFAOYSA-N
SMILES:
N#CC1=CN(CC=C1)Cc1c(Cl)cccc1Cl
NSC Number:
118792
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.022g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.137g/mol
Monoisotopic Mass:
264.022g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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