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1222-47-5 | Pentanedinitrile, 2,4-diphenyl-
CAS No: 1222-47-5 Catalog No: AG0016XK MDL No:
Product Description
Catalog Number:
AG0016XK
Chemical Name:
Pentanedinitrile, 2,4-diphenyl-
CAS Number:
1222-47-5
Molecular Formula:
C17H14N2
Molecular Weight:
246.3065
IUPAC Name:
2,4-diphenylpentanedinitrile
InChI:
InChI=1S/C17H14N2/c18-12-16(14-7-3-1-4-8-14)11-17(13-19)15-9-5-2-6-10-15/h1-10,16-17H,11H2
InChI Key:
BWTDTZJEXARMAO-UHFFFAOYSA-N
SMILES:
N#CC(c1ccccc1)CC(c1ccccc1)C#N
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.313g/mol
Monoisotopic Mass:
246.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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