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Home > Boronic Acids > 1247025-84-8
1247025-84-8 | [(3-boronophenyl)methyl]triphenyl-phosphonium,monobromide
CAS No: 1247025-84-8 Catalog No: AG01EPB3 MDL No:
Product Description
Catalog Number:
AG01EPB3
Chemical Name:
[(3-boronophenyl)methyl]triphenyl-phosphonium,monobromide
CAS Number:
1247025-84-8
Molecular Formula:
C25H23BBrO2P
Molecular Weight:
477.1377
IUPAC Name:
(3-boronophenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C25H23BO2P.BrH/c27-26(28)22-12-10-11-21(19-22)20-29(23-13-4-1-5-14-23,24-15-6-2-7-16-24)25-17-8-3-9-18-25;/h1-19,27-28H,20H2;1H/q+1;/p-1
InChI Key:
VDNRROALFUZCBO-UHFFFAOYSA-M
SMILES:
OB(c1cccc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)O.[Br-]
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.071g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
477.145g/mol
Monoisotopic Mass:
476.071g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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