Name: Name:3-Quinolinecarboxylic acid, 8-bromo-5-fluoro-4-hydroxy-, ethyl ester
Brand: Angene
SKU: AG006PHA
Rating: 90 (10 reviews)

3-Quinolinecarboxylic acid, 8-bromo-5-fluoro-4-hydroxy-, ethyl ester

CAS No.:

655236-28-5

Catalog Number:

AG006PHA

Molecular Formula:

C12H9BrFNO3

Molecular Weight:

314.1072

Catalog Number:

AG006PHA

Chemical Name:

3-Quinolinecarboxylic acid, 8-bromo-5-fluoro-4-hydroxy-, ethyl ester

CAS Number:

655236-28-5

Molecular Formula:

C12H9BrFNO3

Molecular Weight:

314.1072

MDL Number:

MFCD16036881

IUPAC Name:

ethyl 8-bromo-5-fluoro-4-oxo-1H-quinoline-3-carboxylate

InChI:

InChI=1S/C12H9BrFNO3/c1-2-18-12(17)6-5-15-10-7(13)3-4-8(14)9(10)11(6)16/h3-5H,2H2,1H3,(H,15,16)

InChI Key:

FCMIOTBNVHXSJA-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnc2c(c1O)c(F)ccc2Br

Complexity:

399

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

312.975g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.11g/mol

Monoisotopic Mass:

312.975g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.4A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.8