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Home > Fluorides > 146578-99-6
146578-99-6 | Quinoline, 2-cyclopropyl-3-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-
CAS No: 146578-99-6 Catalog No: AG001E5J MDL No:MFCD12828197
Product Description
Catalog Number:
AG001E5J
Chemical Name:
Quinoline, 2-cyclopropyl-3-[(diphenylphosphinyl)methyl]-4-(4-fluorophenyl)-
CAS Number:
146578-99-6
Molecular Formula:
C31H25FNOP
Molecular Weight:
477.5085
MDL Number:
MFCD12828197
IUPAC Name:
2-cyclopropyl-3-(diphenylphosphorylmethyl)-4-(4-fluorophenyl)quinoline
InChI:
InChI=1S/C31H25FNOP/c32-24-19-17-22(18-20-24)30-27-13-7-8-14-29(27)33-31(23-15-16-23)28(30)21-35(34,25-9-3-1-4-10-25)26-11-5-2-6-12-26/h1-14,17-20,23H,15-16,21H2
InChI Key:
MZRARJFFURJVLQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1c(CP(=O)(c2ccccc2)c2ccccc2)c(nc2c1cccc2)C1CC1
Properties
Complexity:
712
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
477.166g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.519g/mol
Monoisotopic Mass:
477.166g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.6
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