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88137-65-9 | Phosphonium, [2-oxo-2-(1H-pyrazol-3-yl)ethyl]triphenyl-, chloride
CAS No: 88137-65-9 Catalog No: AG004FBS MDL No:
Product Description
Catalog Number:
AG004FBS
Chemical Name:
Phosphonium, [2-oxo-2-(1H-pyrazol-3-yl)ethyl]triphenyl-, chloride
CAS Number:
88137-65-9
Molecular Formula:
C23H20ClN2OP
Molecular Weight:
406.8445
IUPAC Name:
[2-oxo-2-(1H-pyrazol-5-yl)ethyl]-triphenylphosphanium;chloride
InChI:
InChI=1S/C23H19N2OP.ClH/c26-23(22-16-17-24-25-22)18-27(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-17H,18H2;1H
InChI Key:
OFPGPBPJBWCTCS-UHFFFAOYSA-N
SMILES:
O=C(c1n[nH]cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
406.1g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.85g/mol
Monoisotopic Mass:
406.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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