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140173-14-4 | Phosphonium, [1-(benzoylamino)-2-methyl-1-propen-1-yl]triphenyl-, perchlorate (1:1)
CAS No: 140173-14-4 Catalog No: AG001C4B MDL No:
Product Description
Catalog Number:
AG001C4B
Chemical Name:
Phosphonium, [1-(benzoylamino)-2-methyl-1-propen-1-yl]triphenyl-, perchlorate (1:1)
CAS Number:
140173-14-4
Molecular Formula:
C29H27ClNO5P
Molecular Weight:
535.9551
IUPAC Name:
(1-benzamido-2-methylprop-1-enyl)-triphenylphosphanium;perchlorate
InChI:
InChI=1S/C29H26NOP.ClHO4/c1-23(2)29(30-28(31)24-15-7-3-8-16-24)32(25-17-9-4-10-18-25,26-19-11-5-12-20-26)27-21-13-6-14-22-27;2-1(3,4)5/h3-22H,1-2H3;(H,2,3,4,5)
InChI Key:
SPSUCWXNFXQMSZ-UHFFFAOYSA-N
SMILES:
[O-][Cl](=O)(=O)=O.O=C(c1ccccc1)NC(=C(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
678
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
535.132g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
535.961g/mol
Monoisotopic Mass:
535.132g/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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