Name: Name:1-[(4-fluorophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid
Brand: Angene
SKU: AG019UZB
Rating: 90 (10 reviews)

1-[(4-fluorophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

CAS No.:

926228-50-4

Catalog Number:

AG019UZB

Molecular Formula:

C12H11FN2O3

Molecular Weight:

250.2257

Catalog Number:

AG019UZB

Chemical Name:

1-[(4-fluorophenyl)methyl]-6-oxo-1,4,5,6-tetrahydropyridazine-3-carboxylic acid

CAS Number:

926228-50-4

Molecular Formula:

C12H11FN2O3

Molecular Weight:

250.2257

MDL Number:

MFCD08442496

IUPAC Name:

1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid

InChI:

InChI=1S/C12H11FN2O3/c13-9-3-1-8(2-4-9)7-15-11(16)6-5-10(14-15)12(17)18/h1-4H,5-7H2,(H,17,18)

InChI Key:

DATJEUAWIDGGCK-UHFFFAOYSA-N

SMILES:

OC(=O)C1=NN(C(=O)CC1)Cc1ccc(cc1)F

Complexity:

376

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.075g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.229g/mol

Monoisotopic Mass:

250.075g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

70A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.7