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121561-29-3 | Phosphonium, [[(4-methylbenzoyl)amino]methyl]triphenyl-, perchlorate (1:1)
CAS No: 121561-29-3 Catalog No: AG00159L MDL No:
Product Description
Catalog Number:
AG00159L
Chemical Name:
Phosphonium, [[(4-methylbenzoyl)amino]methyl]triphenyl-, perchlorate (1:1)
CAS Number:
121561-29-3
Molecular Formula:
C27H25ClNO5P
Molecular Weight:
509.9179
IUPAC Name:
[(4-methylbenzoyl)amino]methyl-triphenylphosphanium;perchlorate
InChI:
InChI=1S/C27H24NOP.ClHO4/c1-22-17-19-23(20-18-22)27(29)28-21-30(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;2-1(3,4)5/h2-20H,21H2,1H3;(H,2,3,4,5)
InChI Key:
JWGVDAHYRZQNMP-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.Cc1ccc(cc1)C(=O)NC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
573
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
509.116g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
509.923g/mol
Monoisotopic Mass:
509.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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