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121561-24-8 | Phosphonium, [[(4-chlorobenzoyl)amino]methyl]triphenyl-, chloride (1:1)
CAS No: 121561-24-8 Catalog No: AG00159N MDL No:
Product Description
Catalog Number:
AG00159N
Chemical Name:
Phosphonium, [[(4-chlorobenzoyl)amino]methyl]triphenyl-, chloride (1:1)
CAS Number:
121561-24-8
Molecular Formula:
C26H22Cl2NOP
Molecular Weight:
466.3387
IUPAC Name:
[(4-chlorobenzoyl)amino]methyl-triphenylphosphanium;chloride
InChI:
InChI=1S/C26H21ClNOP.ClH/c27-22-18-16-21(17-19-22)26(29)28-20-30(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H
InChI Key:
WDMCOWVYWKOUAN-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
465.082g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
466.342g/mol
Monoisotopic Mass:
465.082g/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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