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128426-95-9 | 3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-1,4-dihydro-4-oxo-
CAS No: 128426-95-9 Catalog No: AG000Y3J MDL No:
Product Description
Catalog Number:
AG000Y3J
Chemical Name:
3-Quinolinecarboxylic acid, 1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-1,4-dihydro-4-oxo-
CAS Number:
128426-95-9
Molecular Formula:
C14H9F4NO4
Molecular Weight:
331.2192
IUPAC Name:
1-cyclopropyl-8-(difluoromethoxy)-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C14H9F4NO4/c15-8-3-6-10(12(9(8)16)23-14(17)18)19(5-1-2-5)4-7(11(6)20)13(21)22/h3-5,14H,1-2H2,(H,21,22)
InChI Key:
BABQSAYDWYPDMI-UHFFFAOYSA-N
SMILES:
FC(Oc1c(F)c(F)cc2c1n(cc(c2=O)C(=O)O)C1CC1)F
Properties
Complexity:
551
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.047g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
331.223g/mol
Monoisotopic Mass:
331.047g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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