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157372-99-1 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-7-fluoro-1,4-dihydro-4-oxo-
CAS No: 157372-99-1 Catalog No: AG001PEY MDL No:MFCD19290535
Product Description
Catalog Number:
AG001PEY
Chemical Name:
3-Quinolinecarboxylic acid, 1-cyclopropyl-7-fluoro-1,4-dihydro-4-oxo-
CAS Number:
157372-99-1
Molecular Formula:
C13H10FNO3
Molecular Weight:
247.2218
MDL Number:
MFCD19290535
IUPAC Name:
1-cyclopropyl-7-fluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C13H10FNO3/c14-7-1-4-9-11(5-7)15(8-2-3-8)6-10(12(9)16)13(17)18/h1,4-6,8H,2-3H2,(H,17,18)
InChI Key:
SZESLTPCOVTJOL-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)n(cc(c2=O)C(=O)O)C1CC1
Properties
Complexity:
430
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.064g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.225g/mol
Monoisotopic Mass:
247.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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