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14535-08-1 | Pyridinium, 3-cyano-1-(phenylmethyl)-, chloride (1:1)
CAS No: 14535-08-1 Catalog No: AG001KTZ MDL No:
Product Description
Catalog Number:
AG001KTZ
Chemical Name:
Pyridinium, 3-cyano-1-(phenylmethyl)-, chloride (1:1)
CAS Number:
14535-08-1
Molecular Formula:
C13H11ClN2
Molecular Weight:
230.6928
IUPAC Name:
1-benzylpyridin-1-ium-3-carbonitrile;chloride
InChI:
InChI=1S/C13H11N2.ClH/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12;/h1-8,11H,10H2;1H/q+1;/p-1
InChI Key:
FCWNDFCUHFLPLJ-UHFFFAOYSA-M
SMILES:
N#Cc1ccc[n+](c1)Cc1ccccc1.[Cl-]
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.061g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.695g/mol
Monoisotopic Mass:
230.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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