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140173-10-0 | Phosphonium, [1-(acetylamino)-2-phenylethenyl]triphenyl-, perchlorate (1:1)
CAS No: 140173-10-0 Catalog No: AG001C4C MDL No:
Product Description
Catalog Number:
AG001C4C
Chemical Name:
Phosphonium, [1-(acetylamino)-2-phenylethenyl]triphenyl-, perchlorate (1:1)
CAS Number:
140173-10-0
Molecular Formula:
C28H25ClNO5P
Molecular Weight:
521.9286
IUPAC Name:
(1-acetamido-2-phenylethenyl)-triphenylphosphanium;perchlorate
InChI:
InChI=1S/C28H24NOP.ClHO4/c1-23(30)29-28(22-24-14-6-2-7-15-24)31(25-16-8-3-9-17-25,26-18-10-4-11-19-26)27-20-12-5-13-21-27;2-1(3,4)5/h2-22H,1H3;(H,2,3,4,5)
InChI Key:
CCYAMMVHKXXRAW-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.CC(=O)NC(=Cc1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
640
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
521.116g/mol
Formal Charge:
0
Heavy Atom Count:
36
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
521.934g/mol
Monoisotopic Mass:
521.116g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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