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Home > Nitro Compounds > 72796-90-8
72796-90-8 | Phosphonium,(4-nitrophenyl)triphenyl-, chloride (1:1)
CAS No: 72796-90-8 Catalog No: AG005F0E MDL No:
Product Description
Catalog Number:
AG005F0E
Chemical Name:
Phosphonium,(4-nitrophenyl)triphenyl-, chloride (1:1)
CAS Number:
72796-90-8
Molecular Formula:
C24H19ClNO2P
Molecular Weight:
419.8399
IUPAC Name:
(4-nitrophenyl)-triphenylphosphanium;chloride
InChI:
InChI=1S/C24H19NO2P.ClH/c26-25(27)20-16-18-24(19-17-20)28(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-19H;1H/q+1;/p-1
InChI Key:
UBFHRZQTQZUUEA-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
419.084g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.845g/mol
Monoisotopic Mass:
419.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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