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1299492-97-9 | 3-Pyridinecarbonitrile, 2,6-dichloro-5-propyl-
CAS No: 1299492-97-9 Catalog No: AG000TSV MDL No:
Product Description
Catalog Number:
AG000TSV
Chemical Name:
3-Pyridinecarbonitrile, 2,6-dichloro-5-propyl-
CAS Number:
1299492-97-9
Molecular Formula:
C9H8Cl2N2
Molecular Weight:
215.0792
IUPAC Name:
2,6-dichloro-5-propylpyridine-3-carbonitrile
InChI:
InChI=1S/C9H8Cl2N2/c1-2-3-6-4-7(5-12)9(11)13-8(6)10/h4H,2-3H2,1H3
InChI Key:
AMMQPBAIRNGWQW-UHFFFAOYSA-N
SMILES:
CCCc1cc(C#N)c(nc1Cl)Cl
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.006g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.077g/mol
Monoisotopic Mass:
214.006g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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