Name: Name:3-Pyridazinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-1-[3-(trifluoromethyl)phenyl]-, methyl ester
Brand: Angene
SKU: AG0015BT
Rating: 90 (10 reviews)

3-Pyridazinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-1-[3-(trifluoromethyl)phenyl]-, methyl ester

CAS No.:

121582-55-6

Catalog Number:

AG0015BT

Molecular Formula:

C13H9F3N2O4

Molecular Weight:

314.2168

Catalog Number:

AG0015BT

Chemical Name:

3-Pyridazinecarboxylic acid, 1,6-dihydro-4-hydroxy-6-oxo-1-[3-(trifluoromethyl)phenyl]-, methyl ester

CAS Number:

121582-55-6

Molecular Formula:

C13H9F3N2O4

Molecular Weight:

314.2168

MDL Number:

MFCD00141006

IUPAC Name:

methyl 4-hydroxy-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxylate

InChI:

InChI=1S/C13H9F3N2O4/c1-22-12(21)11-9(19)6-10(20)18(17-11)8-4-2-3-7(5-8)13(14,15)16/h2-6,19H,1H3

InChI Key:

WTLMSGGYGXMVQD-UHFFFAOYSA-N

SMILES:

COC(=O)c1nn(c2cccc(c2)C(F)(F)F)c(=O)cc1O

Complexity:

542

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.22g/mol

Monoisotopic Mass:

314.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

79.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6