Name: Name:methyl 5-(4-chlorophenyl)-1-methyl-1H-pyrazole-3-carboxylate
Brand: Angene
SKU: AG01B9U9
Rating: 90 (10 reviews)

methyl 5-(4-chlorophenyl)-1-methyl-1H-pyrazole-3-carboxylate

CAS No.:

1275687-89-2

Catalog Number:

AG01B9U9

Molecular Formula:

C12H11ClN2O2

Molecular Weight:

250.6809

Catalog Number:

AG01B9U9

Chemical Name:

methyl 5-(4-chlorophenyl)-1-methyl-1H-pyrazole-3-carboxylate

CAS Number:

1275687-89-2

Molecular Formula:

C12H11ClN2O2

Molecular Weight:

250.6809

MDL Number:

MFCD17324128

IUPAC Name:

methyl 5-(4-chlorophenyl)-1-methylpyrazole-3-carboxylate

InChI:

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

InChI Key:

MZKILUYDQDRISU-UHFFFAOYSA-N

SMILES:

COC(=O)c1cc(n(n1)C)c1ccc(cc1)Cl

Complexity:

280

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:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7