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145786-65-8 | Phosphonium, [(3,4-dichlorophenyl)methyl]triphenyl-, bromide (1:1)
CAS No: 145786-65-8 Catalog No: AG001DEA MDL No:
Product Description
Catalog Number:
AG001DEA
Chemical Name:
Phosphonium, [(3,4-dichlorophenyl)methyl]triphenyl-, bromide (1:1)
CAS Number:
145786-65-8
Molecular Formula:
C25H20BrCl2P
Molecular Weight:
502.2101
IUPAC Name:
(3,4-dichlorophenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C25H20Cl2P.BrH/c26-24-17-16-20(18-25(24)27)19-28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-18H,19H2;1H/q+1;/p-1
InChI Key:
ZVLPEMXIPJHIMP-UHFFFAOYSA-M
SMILES:
Clc1ccc(cc1Cl)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
499.986g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
502.213g/mol
Monoisotopic Mass:
499.986g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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