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127199-27-3 | 3-Quinolinecarboxylic acid, 8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-
CAS No: 127199-27-3 Catalog No: AG000WRP MDL No:MFCD23701744
Product Description
Catalog Number:
AG000WRP
Chemical Name:
3-Quinolinecarboxylic acid, 8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-
CAS Number:
127199-27-3
Molecular Formula:
C13H7ClF3NO3
Molecular Weight:
317.6478
MDL Number:
MFCD23701744
IUPAC Name:
8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid
InChI:
InChI=1S/C13H7ClF3NO3/c14-9-10(17)7(16)1-4-11(9)18(8-2-6(8)15)3-5(12(4)19)13(20)21/h1,3,6,8H,2H2,(H,20,21)/t6-,8+/m0/s1
InChI Key:
HYNVUCYYHOBXLB-POYBYMJQSA-N
SMILES:
Fc1cc2c(=O)c(cn(c2c(c1F)Cl)[C@@H]1C[C@@H]1F)C(=O)O
Properties
Complexity:
529
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
317.007g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
317.648g/mol
Monoisotopic Mass:
317.007g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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