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85273-99-0 | Quinoline, 2-chloro-3-(4-fluorophenyl)-
CAS No: 85273-99-0 Catalog No: AG004V0I MDL No:
Product Description
Catalog Number:
AG004V0I
Chemical Name:
Quinoline, 2-chloro-3-(4-fluorophenyl)-
CAS Number:
85273-99-0
Molecular Formula:
C15H9ClFN
Molecular Weight:
257.6901
IUPAC Name:
2-chloro-3-(4-fluorophenyl)quinoline
InChI:
InChI=1S/C15H9ClFN/c16-15-13(10-5-7-12(17)8-6-10)9-11-3-1-2-4-14(11)18-15/h1-9H
InChI Key:
KRZIUCWIMUOCTD-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cc2ccccc2nc1Cl
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.041g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.692g/mol
Monoisotopic Mass:
257.041g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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