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137003-82-8 | Phosphonium, (3-hydroxy-3-phenylpropyl)triphenyl-, bromide (1:1)
CAS No: 137003-82-8 Catalog No: AG0012PR MDL No:
Product Description
Catalog Number:
AG0012PR
Chemical Name:
Phosphonium, (3-hydroxy-3-phenylpropyl)triphenyl-, bromide (1:1)
CAS Number:
137003-82-8
Molecular Formula:
C27H26BrOP
Molecular Weight:
477.3725
IUPAC Name:
(3-hydroxy-3-phenylpropyl)-triphenylphosphanium;bromide
InChI:
InChI=1S/C27H26OP.BrH/c28-27(23-13-5-1-6-14-23)21-22-29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20,27-28H,21-22H2;1H/q+1;/p-1
InChI Key:
BODQXHWNFLAMLA-UHFFFAOYSA-M
SMILES:
OC(c1ccccc1)CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.09g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
477.382g/mol
Monoisotopic Mass:
476.09g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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