Name: Name:1-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid
Brand: Angene
SKU: AG019X5M
Rating: 90 (10 reviews)

1-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS No.:

1210492-11-7

Catalog Number:

AG019X5M

Molecular Formula:

C12H11ClN2O4

Molecular Weight:

282.6797

Catalog Number:

AG019X5M

Chemical Name:

1-(4-chlorophenyl)-4-(2-hydroxyethyl)-5-oxo-2,5-dihydro-1H-pyrazole-3-carboxylic acid

CAS Number:

1210492-11-7

Molecular Formula:

C12H11ClN2O4

Molecular Weight:

282.6797

MDL Number:

MFCD00068873

IUPAC Name:

2-(4-chlorophenyl)-4-(2-hydroxyethyl)-3-oxo-1H-pyrazole-5-carboxylic acid

InChI:

InChI=1S/C12H11ClN2O4/c13-7-1-3-8(4-2-7)15-11(17)9(5-6-16)10(14-15)12(18)19/h1-4,14,16H,5-6H2,(H,18,19)

InChI Key:

SPJLANAYHGFDJS-UHFFFAOYSA-N

SMILES:

OCCc1c([nH]n(c1=O)c1ccc(cc1)Cl)C(=O)O

Complexity:

416

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.041g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.68g/mol

Monoisotopic Mass:

282.041g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

89.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4