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Home > Nitro Compounds > 52513-28-7
52513-28-7 | [(2-Nitrophenyl)methyl]triphenylphosphanium chloride
CAS No: 52513-28-7 Catalog No: AG01F8M7 MDL No:MFCD00962132
Product Description
Catalog Number:
AG01F8M7
Chemical Name:
[(2-Nitrophenyl)methyl]triphenylphosphanium chloride
CAS Number:
52513-28-7
Molecular Formula:
C25H21ClNO2P
Molecular Weight:
433.8665
MDL Number:
MFCD00962132
IUPAC Name:
(2-nitrophenyl)methyl-triphenylphosphanium;chloride
InChI:
InChI=1S/C25H21NO2P.ClH/c27-26(28)25-19-11-10-12-21(25)20-29(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/q+1;/p-1
InChI Key:
RBGSANDHIIMIOV-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccccc1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
470
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.1g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
433.872g/mol
Monoisotopic Mass:
433.1g/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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