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81658-46-0 | ((S)-(-)-3-HYDROXY-2-METHYLPROPYL)-TRIPHENYLPHOSPHONIUM BROMIDE
CAS No: 81658-46-0 Catalog No: AG005JFB MDL No:
Product Description
Catalog Number:
AG005JFB
Chemical Name:
((S)-(-)-3-HYDROXY-2-METHYLPROPYL)-TRIPHENYLPHOSPHONIUM BROMIDE
CAS Number:
81658-46-0
Molecular Formula:
C22H24BrOP
Molecular Weight:
415.3031
IUPAC Name:
[(2S)-3-hydroxy-2-methylpropyl]-triphenylphosphanium;bromide
InChI:
InChI=1S/C22H24OP.BrH/c1-19(17-23)18-24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16,19,23H,17-18H2,1H3;1H/q+1;/p-1/t19-;/m0./s1
InChI Key:
KLRCNKUKJUSLOA-FYZYNONXSA-M
SMILES:
OC[C@@H](C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Br-]
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
414.075g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
415.311g/mol
Monoisotopic Mass:
414.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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