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1530-41-2

1530-41-2 | [(3-Nitrophenyl)methyl]triphenylphosphanium bromide

CAS No: 1530-41-2 Catalog No: AG01F8UC MDL No:MFCD00962131

Product Description

Catalog Number:
AG01F8UC
Chemical Name:
[(3-Nitrophenyl)methyl]triphenylphosphanium bromide
CAS Number:
1530-41-2
Molecular Formula:
C25H21BrNO2P
Molecular Weight:
478.3175
MDL Number:
MFCD00962131
IUPAC Name:
(3-nitrophenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C25H21NO2P.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;/h1-19H,20H2;1H/q+1;/p-1
InChI Key:
KMHNBWHLNJDFPF-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1cccc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
NSC Number:
64106

Properties

Complexity:
470  
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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