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109929-60-4 | Pyrazineacetonitrile, a-phenyl-a-(2-phenylethyl)-
CAS No: 109929-60-4 Catalog No: AG01FLUW MDL No:MFCD00959318
Product Description
Catalog Number:
AG01FLUW
Chemical Name:
Pyrazineacetonitrile, a-phenyl-a-(2-phenylethyl)-
CAS Number:
109929-60-4
Molecular Formula:
C20H17N3
Molecular Weight:
299.3691
MDL Number:
MFCD00959318
IUPAC Name:
2,4-diphenyl-2-pyrazin-2-ylbutanenitrile
InChI:
InChI=1S/C20H17N3/c21-16-20(18-9-5-2-6-10-18,19-15-22-13-14-23-19)12-11-17-7-3-1-4-8-17/h1-10,13-15H,11-12H2
InChI Key:
WORRCQSKDYSZCX-UHFFFAOYSA-N
SMILES:
N#CC(c1nccnc1)(c1ccccc1)CCc1ccccc1
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.142g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.377g/mol
Monoisotopic Mass:
299.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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