1-(1,1-Dimethylethyl)-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid - CAS 150805-04-2
Catalog: |
BB067037 |
Product Name: |
1-(1,1-Dimethylethyl)-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid |
CAS: |
150805-04-2 |
Synonyms: |
1-(1,1-Dimethylethyl)-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylic Acid; 1-tert-butyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid; 1-tert-Butyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylic acid |
IUPAC Name: | 1-tert-butyl-6,7,8-trifluoro-4-oxoquinoline-3-carboxylic acid |
Description: | An antibacterial agent. |
Molecular Weight: | 299.25 |
Molecular Formula: | C14H12F3NO3 |
Canonical SMILES: | CC(C)(C)N1C=C(C(=O)C2=CC(=C(C(=C21)F)F)F)C(=O)O |
InChI: | InChI=1S/C14H12F3NO3/c1-14(2,3)18-5-7(13(20)21)12(19)6-4-8(15)9(16)10(17)11(6)18/h4-5H,1-3H3,(H,20,21) |
InChI Key: | CBPZPQJZEBDUEK-UHFFFAOYSA-N |
Complexity: | 500 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.07692773 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.07692773 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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