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(Q72518364)
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English
8-Chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
chemical compound
(1R-cis)-8-Chloro-6,7-difluoro-1-(2-fluorocyclopropyl)-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
317.006655424
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₇ClF₃NO₃
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canonical SMILES
O=C(O)c1cn(C2CC2F)c2c(Cl)c(F)c(F)cc2c1=O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1[C@H]([C@H]1F)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)F)F)C(=O)O
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Identifiers
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
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InChIKey
HYNVUCYYHOBXLB-POYBYMJQSA-N
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CAS Registry Number
127199-27-3
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PubChem CID
10448547
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matched by identifier from
InChIKey
InChIKey
HYNVUCYYHOBXLB-POYBYMJQSA-N
UniChem compound ID
25225537
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID50440139
1 reference
matched by identifier from
InChIKey
InChIKey
HYNVUCYYHOBXLB-POYBYMJQSA-N
DSSTOX compound identifier
DTXCID30390961
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