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[(2-nitrophenyl)methyl]triphenylphosphanium bromide

[(2-nitrophenyl)methyl]triphenylphosphanium bromide

CAS: 23308-83-0

Formula: C25H21BrNO2P

SMILES: [Br-].[O-][N+](=O)C1=CC=CC=C1C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1

IUPAC: [(2-nitrophenyl)methyl]triphenylphosphanium bromide

InChI: InChI=1S/C25H21NO2P.BrH/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

Composition: C (62.78%), H (4.43%), Br (16.70%), N (2.93%), O (6.69%), P (6.48%)

Molar Mass: 478.326

Atom Count: 51

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 477.049329
Formal Charge 0
FSP3 0.04
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ATURWXASWONPRT-UHFFFAOYSA-M
Lipinski's Rule of Five
Molar Refractivity 118.15
Topological Polar Surface Area 43.14
Polarizability 45.79
Ring Count 4
Rotatable Bond Count 6

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