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17730-93-7 | Phosphonium, [2-(4-nitrophenyl)-2-oxoethyl]triphenyl-, bromide (1:1)
CAS No: 17730-93-7 Catalog No: AG00258W MDL No:
Product Description
Catalog Number:
AG00258W
Chemical Name:
Phosphonium, [2-(4-nitrophenyl)-2-oxoethyl]triphenyl-, bromide (1:1)
CAS Number:
17730-93-7
Molecular Formula:
C26H21BrNO3P
Molecular Weight:
506.3276
IUPAC Name:
[2-(4-nitrophenyl)-2-oxoethyl]-triphenylphosphanium
InChI:
InChI=1S/C26H21NO3P/c28-26(21-16-18-22(19-17-21)27(29)30)20-31(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-19H,20H2/q+1
InChI Key:
QRGSWGWWJFATQZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)[N+](=O)[O-])C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
547
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
426.126g/mol
Formal Charge:
1
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.432g/mol
Monoisotopic Mass:
426.126g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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