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101838-56-6 | Phosphonium, [2-oxo-2-(phenylamino)ethyl]triphenyl-, chloride (1:1)
CAS No: 101838-56-6 Catalog No: AG0005OV MDL No:
Product Description
Catalog Number:
AG0005OV
Chemical Name:
Phosphonium, [2-oxo-2-(phenylamino)ethyl]triphenyl-, chloride (1:1)
CAS Number:
101838-56-6
Molecular Formula:
C26H23ClNOP
Molecular Weight:
431.8937
IUPAC Name:
(2-anilino-2-oxoethyl)-triphenylphosphanium;chloride
InChI:
InChI=1S/C26H22NOP.ClH/c28-26(27-22-13-5-1-6-14-22)21-29(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H
InChI Key:
JJVJXSNPGBLBRV-UHFFFAOYSA-N
SMILES:
O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ccccc1.[Cl-]
NSC Number:
160934
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.121g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
431.9g/mol
Monoisotopic Mass:
431.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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