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2964-33-2 | Propanedinitrile, 2-[(4-chlorophenyl)methyl]-
CAS No: 2964-33-2 Catalog No: AG002YZM MDL No:
Product Description
Catalog Number:
AG002YZM
Chemical Name:
Propanedinitrile, 2-[(4-chlorophenyl)methyl]-
CAS Number:
2964-33-2
Molecular Formula:
C10H7ClN2
Molecular Weight:
190.6290
IUPAC Name:
2-[(4-chlorophenyl)methyl]propanedinitrile
InChI:
InChI=1S/C10H7ClN2/c11-10-3-1-8(2-4-10)5-9(6-12)7-13/h1-4,9H,5H2
InChI Key:
KZVZSAZGEKLWOJ-UHFFFAOYSA-N
SMILES:
N#CC(Cc1ccc(cc1)Cl)C#N
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.03g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.63g/mol
Monoisotopic Mass:
190.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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