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2767-70-6 | Phosphonium, [(4-nitrophenyl)methyl]triphenyl-, bromide (1:1)
CAS No: 2767-70-6 Catalog No: AG002UDY MDL No:MFCD00032108
Product Description
Catalog Number:
AG002UDY
Chemical Name:
Phosphonium, [(4-nitrophenyl)methyl]triphenyl-, bromide (1:1)
CAS Number:
2767-70-6
Molecular Formula:
C25H21BrNO2P
Molecular Weight:
478.3175
MDL Number:
MFCD00032108
IUPAC Name:
(4-nitrophenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C25H21NO2P.BrH/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
InChI Key:
IPJPTPFIJLFWLP-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
EC Number:
220-444-0
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.049g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.326g/mol
Monoisotopic Mass:
477.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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