6,7-Difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
144216-11-5- Standard SMILES
O=C(O)c1c[nH]c2cc(F)c(F)cc2c1=O- InChIKey
URJLZNXCWLEREY-UHFFFAOYSA-N- Molecular formula
- C10H5F2NO3
- Average molar mass
- 225.15 g/mol
- Monoisotopic mass
- 225.02374935
Names & identifiers
- Preferred name
- 6,7-Difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 6,7-difluoro-4-oxo-1H-quinoline-3-carboxylic acid
- English name
- 6,7-Difluoro-4-oxo-1H-quinoline-3-carboxylic acid
- Molecular formula
- C10H5F2NO3
- Molecular weight
- 225.15
Names & synonyms
144216-11-56,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid6,7-difluoro-4-oxo-1H-quinoline-3-carboxylic acidMFCD049671766,7-Difluoro-4-oxo-1,4-dihydro-quinoline-3-carboxylic acidSBB009385294644-89-66,7-difluoro-4-oxohydroquinoline-3-carboxylic acid3-Quinolinecarboxylic acid, 6,7-difluoro-1,4-dihydro-4-oxo-Sitafloxacin Impurity KSCHEMBL2978428SCHEMBL6197961
Show more names
XT-D Impurity 3
CHEMBL5308809DTXSID20424502URJLZNXCWLEREY-UHFFFAOYSA-NUFA21611STK312223AKOS000505698AKOS016042585BS-9945
Database identifiers
- CAS
144216-11-5- PubChem CID
- 6485355
- DTXSID
DTXSID20424502- ChEMBL
CHEMBL5308809- EC Number
- 882-958-7
- Nikkaji
- J1.092.201A、J831.319I
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 369
Physicochemical properties
- Boiling point
- 364.9 · 364.9±42.0 °C(Predicted)
- Density
- 1.599 · 1.599±0.06 g/cm3(Predicted)
- pka
- -0.18 · -0.18±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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