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81638-07-5 | Phosphonium, [(3-carboxyphenyl)methyl]triphenyl-, bromide
CAS No: 81638-07-5 Catalog No: AG005850 MDL No:
Product Description
Catalog Number:
AG005850
Chemical Name:
Phosphonium, [(3-carboxyphenyl)methyl]triphenyl-, bromide
CAS Number:
81638-07-5
Molecular Formula:
C26H22BrO2P
Molecular Weight:
477.3294
IUPAC Name:
(3-carboxyphenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C26H21O2P.BrH/c27-26(28)22-12-10-11-21(19-22)20-29(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25;/h1-19H,20H2;1H
InChI Key:
XZWJHHQHUFJOJD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.054g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
477.338g/mol
Monoisotopic Mass:
476.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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