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70340-04-4 | (2-Hydroxybenzyl)triphenylphosphonium bromide
CAS No: 70340-04-4 Catalog No: AG003BNF MDL No:MFCD00011902
Product Description
Catalog Number:
AG003BNF
Chemical Name:
(2-Hydroxybenzyl)triphenylphosphonium bromide
CAS Number:
70340-04-4
Molecular Formula:
C25H22BrOP
Molecular Weight:
449.3193
MDL Number:
MFCD00011902
IUPAC Name:
(2-hydroxyphenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C25H21OP.BrH/c26-25-19-11-10-12-21(25)20-27(22-13-4-1-5-14-22,23-15-6-2-7-16-23)24-17-8-3-9-18-24;/h1-19H,20H2;1H
InChI Key:
FKKZGQXMWVGPMH-UHFFFAOYSA-N
SMILES:
Oc1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
EC Number:
274-574-8
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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