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114302-36-2 | Phosphonium, [[3-(methoxycarbonyl)phenyl]methyl]triphenyl-, chloride (1:1)
CAS No: 114302-36-2 Catalog No: AG000B1L MDL No:
Product Description
Catalog Number:
AG000B1L
Chemical Name:
Phosphonium, [[3-(methoxycarbonyl)phenyl]methyl]triphenyl-, chloride (1:1)
CAS Number:
114302-36-2
Molecular Formula:
C27H24ClO2P
Molecular Weight:
446.9050
IUPAC Name:
(3-methoxycarbonylphenyl)methyl-triphenylphosphanium;chloride
InChI:
InChI=1S/C27H24O2P.ClH/c1-29-27(28)23-13-11-12-22(20-23)21-30(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChI Key:
OEFJWLNWTABDRW-UHFFFAOYSA-M
SMILES:
COC(=O)c1cccc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.12g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
446.911g/mol
Monoisotopic Mass:
446.12g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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