8-Chloro-6,7-difluoro-1-((1r,2s)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid - CAS 127199-27-3
Catalog: |
BB069922 |
Product Name: |
8-Chloro-6,7-difluoro-1-((1r,2s)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
CAS: |
127199-27-3 |
Synonyms: |
8-Chloro-6,7-difluoro-1-((1R,2S)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid; 8-CHLORO-6,7-DIFLUORO-1-[(1R,2S)-2-FLUOROCYCLOPROPYL]-4-OXOQUINOLINE-3-CARBOXYLIC ACID; 3-Quinolinecarboxylic acid, 8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-4-oxo-; 8-chloro-6,7-difluoro-1-[(1r,2s)-2-fluorocyclopropyl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
IUPAC Name: | 8-chloro-6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid |
Description: | 8-Chloro-6,7-difluoro-1-((1r,2s)-2-fluorocyclopropyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid |
Molecular Weight: | 317.65 |
Molecular Formula: | C13H7ClF3NO3 |
Canonical SMILES: | C1C(C1F)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)F)F)C(=O)O |
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 |
Complexity: | 529 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 2 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 317.0066553 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 317.0066553 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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