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93107-30-3 | 1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS No: 93107-30-3 Catalog No: AG003E9I MDL No:MFCD01646375
Product Description
Catalog Number:
AG003E9I
Chemical Name:
1-Cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CAS Number:
93107-30-3
Molecular Formula:
C13H9F2NO3
Molecular Weight:
265.2123
MDL Number:
MFCD01646375
IUPAC Name:
1-cyclopropyl-6,7-difluoro-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C13H9F2NO3/c14-9-3-7-11(4-10(9)15)16(6-1-2-6)5-8(12(7)17)13(18)19/h3-6H,1-2H2,(H,18,19)
InChI Key:
KNEXGVPHPGXAGF-UHFFFAOYSA-N
SMILES:
OC(=O)c1cn(C2CC2)c2c(c1=O)cc(c(c2)F)F
EC Number:
413-760-7
Properties
Complexity:
461
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.055g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.216g/mol
Monoisotopic Mass:
265.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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