Name: Name:1-(2-chlorophenyl)-5-ethyl-1H-pyrazole-4-carboxylic acid
Brand: Angene
SKU: AG01BD4Y
Rating: 90 (10 reviews)

1-(2-chlorophenyl)-5-ethyl-1H-pyrazole-4-carboxylic acid

CAS No.:

1154284-31-7

Catalog Number:

AG01BD4Y

Molecular Formula:

C12H11ClN2O2

Molecular Weight:

250.6809

Catalog Number:

AG01BD4Y

Chemical Name:

1-(2-chlorophenyl)-5-ethyl-1H-pyrazole-4-carboxylic acid

CAS Number:

1154284-31-7

Molecular Formula:

C12H11ClN2O2

Molecular Weight:

250.6809

MDL Number:

MFCD12528794

IUPAC Name:

1-(2-chlorophenyl)-5-ethylpyrazole-4-carboxylic acid

InChI:

InChI=1S/C12H11ClN2O2/c1-2-10-8(12(16)17)7-14-15(10)11-6-4-3-5-9(11)13/h3-7H,2H2,1H3,(H,16,17)

InChI Key:

XFKDYQSOMMGWGM-UHFFFAOYSA-N

SMILES:

CCc1c(cnn1c1ccccc1Cl)C(=O)O

Complexity:

288

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.051g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.682g/mol

Monoisotopic Mass:

250.051g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

55.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9