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1368396-99-9 | 8-Quinolinecarboxylic acid, 6-fluoro-, methyl ester
CAS No: 1368396-99-9 Catalog No: AG0012FW MDL No:
Product Description
Catalog Number:
AG0012FW
Chemical Name:
8-Quinolinecarboxylic acid, 6-fluoro-, methyl ester
CAS Number:
1368396-99-9
Molecular Formula:
C11H8FNO2
Molecular Weight:
205.1851
IUPAC Name:
methyl 6-fluoroquinoline-8-carboxylate
InChI:
InChI=1S/C11H8FNO2/c1-15-11(14)9-6-8(12)5-7-3-2-4-13-10(7)9/h2-6H,1H3
InChI Key:
UWAOEOXKVNOHTB-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(F)cc2c1nccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.054g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.188g/mol
Monoisotopic Mass:
205.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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