127199-00-2 - Angene

3-Quinolinecarboxylic acid, 6,7- difluoro-1-(2-fluorocyclopropyl)-1,4- dihydro-4-oxo-, cis-(+)- (9CI)

CAS No.:

127199-00-2

Catalog Number:

AG009CWR

Molecular Formula:

C13H8F3NO3

Molecular Weight:

283.2027

Catalog Number:

AG009CWR

Chemical Name:

3-Quinolinecarboxylic acid, 6,7- difluoro-1-(2-fluorocyclopropyl)-1,4- dihydro-4-oxo-, cis-(+)- (9CI)

CAS Number:

127199-00-2

Molecular Formula:

C13H8F3NO3

Molecular Weight:

283.2027

MDL Number:

MFCD30730062

IUPAC Name:

6,7-difluoro-1-[(1R,2S)-2-fluorocyclopropyl]-4-oxoquinoline-3-carboxylic acid

InChI:

InChI=1S/C13H8F3NO3/c14-7-1-5-10(2-8(7)15)17(11-3-9(11)16)4-6(12(5)18)13(19)20/h1-2,4,9,11H,3H2,(H,19,20)/t9-,11+/m0/s1

InChI Key:

TVOYMYXRLULSCE-GXSJLCMTSA-N

SMILES:

Fc1cc2n(cc(c(=O)c2cc1F)C(=O)O)[C@@H]1C[C@@H]1F

Complexity:

495

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.206g/mol

Monoisotopic Mass:

283.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

57.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9