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14568-89-9 | 3-Butenenitrile, 4-phenyl-2-(phenylamino)-
CAS No: 14568-89-9 Catalog No: AG001DAO MDL No:
Product Description
Catalog Number:
AG001DAO
Chemical Name:
3-Butenenitrile, 4-phenyl-2-(phenylamino)-
CAS Number:
14568-89-9
Molecular Formula:
C16H14N2
Molecular Weight:
234.2958
IUPAC Name:
(E)-2-anilino-4-phenylbut-3-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/h1-12,16,18H/b12-11+
InChI Key:
FTYMHPZZEXKFAO-VAWYXSNFSA-N
SMILES:
N#CC(Nc1ccccc1)C=Cc1ccccc1
NSC Number:
155538
Properties
Complexity:
300
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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