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14627-90-8 | 2-Butenenitrile, 4-phenyl-2-(phenylamino)-
CAS No: 14627-90-8 Catalog No: AG001DUD MDL No:
Product Description
Catalog Number:
AG001DUD
Chemical Name:
2-Butenenitrile, 4-phenyl-2-(phenylamino)-
CAS Number:
14627-90-8
Molecular Formula:
C16H14N2
Molecular Weight:
234.2958
IUPAC Name:
(Z)-2-anilino-4-phenylbut-2-enenitrile
InChI:
InChI=1S/C16H14N2/c17-13-16(18-15-9-5-2-6-10-15)12-11-14-7-3-1-4-8-14/h1-10,12,18H,11H2/b16-12-
InChI Key:
PQXJWVWZZGZNBE-VBKFSLOCSA-N
SMILES:
N#CC(=CCc1ccccc1)Nc1ccccc1
NSC Number:
155537
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
234.116g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.302g/mol
Monoisotopic Mass:
234.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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