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1225380-31-3 | 2-Pyridinecarbonitrile, 5-(chloromethyl)-, hydrochloride (1:1)
CAS No: 1225380-31-3 Catalog No: AG0017F8 MDL No:
Product Description
Catalog Number:
AG0017F8
Chemical Name:
2-Pyridinecarbonitrile, 5-(chloromethyl)-, hydrochloride (1:1)
CAS Number:
1225380-31-3
Molecular Formula:
C7H6Cl2N2
Molecular Weight:
189.0419
IUPAC Name:
5-(chloromethyl)pyridine-2-carbonitrile;hydrochloride
InChI:
InChI=1S/C7H5ClN2.ClH/c8-3-6-1-2-7(4-9)10-5-6;/h1-2,5H,3H2;1H
InChI Key:
ZFJZMAXHJRENOK-UHFFFAOYSA-N
SMILES:
ClCc1ccc(nc1)C#N.Cl
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.991g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.039g/mol
Monoisotopic Mass:
187.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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