Name: Name:ethyl 5-(2-chloroacetamido)-1-methyl-1H-pyrazole-4-carboxylate
Brand: Angene
SKU: AG01AAEW
Rating: 90 (10 reviews)

ethyl 5-(2-chloroacetamido)-1-methyl-1H-pyrazole-4-carboxylate

CAS No.:

81679-07-4

Catalog Number:

AG01AAEW

Molecular Formula:

C9H12ClN3O3

Molecular Weight:

245.6629

Catalog Number:

AG01AAEW

Chemical Name:

ethyl 5-(2-chloroacetamido)-1-methyl-1H-pyrazole-4-carboxylate

CAS Number:

81679-07-4

Molecular Formula:

C9H12ClN3O3

Molecular Weight:

245.6629

MDL Number:

MFCD10465264

IUPAC Name:

ethyl 5-[(2-chloroacetyl)amino]-1-methylpyrazole-4-carboxylate

InChI:

InChI=1S/C9H12ClN3O3/c1-3-16-9(15)6-5-11-13(2)8(6)12-7(14)4-10/h5H,3-4H2,1-2H3,(H,12,14)

InChI Key:

FRPNFJSPPQTIEO-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1cnn(c1NC(=O)CCl)C

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

245.057g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

245.663g/mol

Monoisotopic Mass:

245.057g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1