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73718-87-3 | 2-Propanone, 1-(3-chlorophenoxy)-3-(triphenylphosphoranylidene)-
CAS No: 73718-87-3 Catalog No: AG005BVF MDL No:
Product Description
Catalog Number:
AG005BVF
Chemical Name:
2-Propanone, 1-(3-chlorophenoxy)-3-(triphenylphosphoranylidene)-
CAS Number:
73718-87-3
Molecular Formula:
C27H22ClO2P
Molecular Weight:
444.8891
IUPAC Name:
1-(3-chlorophenoxy)-3-(triphenyl-λ5-phosphanylidene)propan-2-one
InChI:
InChI=1S/C27H22ClO2P/c28-22-11-10-12-24(19-22)30-20-23(29)21-31(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-19,21H,20H2
InChI Key:
IKMJLBBGBDMUEH-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)OCC(=O)C=P(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
444.105g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.895g/mol
Monoisotopic Mass:
444.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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