1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid - CAS 94695-52-0
Catalog: |
BB041458 |
Product Name: |
1-Cyclopropyl-6,7,8-trifluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic Acid |
CAS: |
94695-52-0 |
Synonyms: |
1-cyclopropyl-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid; 1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid |
IUPAC Name: | 1-cyclopropyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid |
Description: | Intermediate in the preparation of Moxifloxacin derivatives. |
Molecular Weight: | 283.20 |
Molecular Formula: | C13H8F3NO3 |
Canonical SMILES: | C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)F)F)C(=O)O |
InChI: | InChI=1S/C13H8F3NO3/c14-8-3-6-11(10(16)9(8)15)17(5-1-2-5)4-7(12(6)18)13(19)20/h3-5H,1-2H2,(H,19,20) |
InChI Key: | NMASXYCNDJMMFR-UHFFFAOYSA-N |
Boiling Point: | 431.252 °C at 760 mmHg |
Density: | 1.697 g/cm3 |
Storage: | Inert atmosphere, Room Temperature |
LogP: | 2.45190 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P201, P202, P264, P270, P280, P281, P301+P312, P305+P351+P338, P308+P313, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111514125-A | Composition containing quinolone compound and edetic acid compound | 20200526 |
CN-111514125-B | Composition containing quinolone compound and edetic acid compound | 20200526 |
WO-2021178420-A1 | Compounds targeting rna-binding proteins or rna-modifying proteins | 20200303 |
CN-111150734-A | Compositions containing mixtures of quinolinone derivatives and uses thereof | 20200108 |
CN-112641773-A | Composition containing heterocyclic compound and use thereof | 20200108 |
Complexity: | 491 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 283.04562760 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 283.04562760 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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