Name: Name:2-[1-(6-chloropyridazin-3-yl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetic acid
Brand: Angene
SKU: AG019S4E
Rating: 90 (10 reviews)

2-[1-(6-chloropyridazin-3-yl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetic acid

CAS No.:

1094331-75-5

Catalog Number:

AG019S4E

Molecular Formula:

C9H7ClN4O3

Molecular Weight:

254.6299

Catalog Number:

AG019S4E

Chemical Name:

2-[1-(6-chloropyridazin-3-yl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl]acetic acid

CAS Number:

1094331-75-5

Molecular Formula:

C9H7ClN4O3

Molecular Weight:

254.6299

MDL Number:

MFCD11133564

IUPAC Name:

2-[1-(6-chloropyridazin-3-yl)-5-oxo-4H-pyrazol-3-yl]acetic acid

InChI:

InChI=1S/C9H7ClN4O3/c10-6-1-2-7(12-11-6)14-8(15)3-5(13-14)4-9(16)17/h1-2H,3-4H2,(H,16,17)

InChI Key:

BTDJWQAYKJMPOS-UHFFFAOYSA-N

SMILES:

OC(=O)CC1=NN(C(=O)C1)c1ccc(nn1)Cl

Complexity:

373

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

254.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

254.63g/mol

Monoisotopic Mass:

254.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

95.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2