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898288-14-7 | Phosphinic amide, N-[(1R)-1-cyano-1-phenylethyl]-P,P-diphenyl-
CAS No: 898288-14-7 Catalog No: AG003Z2H MDL No:
Product Description
Catalog Number:
AG003Z2H
Chemical Name:
Phosphinic amide, N-[(1R)-1-cyano-1-phenylethyl]-P,P-diphenyl-
CAS Number:
898288-14-7
Molecular Formula:
C21H19N2OP
Molecular Weight:
346.3621
IUPAC Name:
(2R)-2-(diphenylphosphorylamino)-2-phenylpropanenitrile
InChI:
InChI=1S/C21H19N2OP/c1-21(17-22,18-11-5-2-6-12-18)23-25(24,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3,(H,23,24)/t21-/m0/s1
InChI Key:
PHHVPQNWZGHSME-NRFANRHFSA-N
SMILES:
N#C[C@@](c1ccccc1)(NP(=O)(c1ccccc1)c1ccccc1)C
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
346.124g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
346.37g/mol
Monoisotopic Mass:
346.124g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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