Name: Name:1H-Pyrazole-5-carboxylic acid, 3-chloro-1-Methyl-, ethyl ester
Brand: Angene
SKU: AG001Z8C
Rating: 90 (10 reviews)

1H-Pyrazole-5-carboxylic acid, 3-chloro-1-Methyl-, ethyl ester

CAS No.:

173841-07-1

Catalog Number:

AG001Z8C

Molecular Formula:

C7H9ClN2O2

Molecular Weight:

188.6116

Catalog Number:

AG001Z8C

Chemical Name:

1H-Pyrazole-5-carboxylic acid, 3-chloro-1-Methyl-, ethyl ester

CAS Number:

173841-07-1

Molecular Formula:

C7H9ClN2O2

Molecular Weight:

188.6116

MDL Number:

MFCD19704132

IUPAC Name:

ethyl 5-chloro-2-methylpyrazole-3-carboxylate

InChI:

InChI=1S/C7H9ClN2O2/c1-3-12-7(11)5-4-6(8)9-10(5)2/h4H,3H2,1-2H3

InChI Key:

ZFAHXMHVTQJRLR-UHFFFAOYSA-N

SMILES:

Cn1nc(cc1C(=O)OCC)Cl

Complexity:

177

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

188.035g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

188.611g/mol

Monoisotopic Mass:

188.035g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7