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74597-01-6 | [(3-hydroxyphenyl)methyl]triphenyl-phosphonium,monobromide
CAS No: 74597-01-6 Catalog No: AG01EPHL MDL No:
Product Description
Catalog Number:
AG01EPHL
Chemical Name:
[(3-hydroxyphenyl)methyl]triphenyl-phosphonium,monobromide
CAS Number:
74597-01-6
Molecular Formula:
C25H22BrOP
Molecular Weight:
449.3193
IUPAC Name:
(3-hydroxyphenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C25H21OP.BrH/c26-22-12-10-11-21(19-22)20-27(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:
SVALDZORJHFRCU-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
448.059g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
449.328g/mol
Monoisotopic Mass:
448.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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