8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid
Properties
- Molecular formula
- C13H9F2NO4
- Molar mass
- 281.21 g/mol
- Exact mass
- 281.0500 Da
- Melting point
- 309–311 °C
- logP
- 1.93Crippen estimate
- Polar surface area
- 68.5 Ų
- H-bond donors / acceptors
- 1 / 3
- Rotatable bonds
- 1
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library
Identifiers
CAS number
82419-35-0SMILES
CC1COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23InChIKey
NVKWWNNJFKZNJO-UHFFFAOYSA-NInChI
InChI=1S/C13H9F2NO4/c1-5-4-20-12-9(15)8(14)2-6-10(12)16(5)3-7(11(6)17)13(18)19/h2-3,5H,4H2,1H3,(H,18,19)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 9,10-Difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
- 7H-Pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid, 9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-
- 9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-pyrido[1,2,3-de]-1,4-benzoxazine-6-carboxylic acid
- 9,10-Difluoro-3-methyl-7-oxo-2,3-dihydro-7H-[1,4]oxazino[2,3,4-ij]quinoline-6-carboxylic acid
Work with 8,9-Difluoro-3-methyl-6-oxo-2,3-dihydro-6H-1-oxa-3a-aza-phenalene-5-carboxylic acid
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Pazufloxacin127045-41-473 % similar
Ethyl (3S)-9,10-difluoro-2,3-dihydro-3-methyl-7-oxo-7H-pyrido(1,2,3-de)-1,4-benzoxazine-6-carboxylate106939-34-872 % similar
Levofloxacin100986-85-470 % similar
N-Desmethyl levofloxacin117707-40-170 % similar
Ofloxacin82419-36-170 % similar
8,9-Difluoro-6,7-dihydro-5-methyl-1-oxo-1H,5H-benzo[ij]quinolizine-2-carboxylic acid80076-47-768 % similar
Ofloxacin hydrochloride118120-51-767 % similar
Levofloxacin hydrate138199-71-067 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds