Name: Name:ethyl 5-(chloromethyl)-1,3-dimethyl-1H-pyrazole-4-carboxylate
Brand: Angene
SKU: AG01AN9D
Rating: 90 (10 reviews)

ethyl 5-(chloromethyl)-1,3-dimethyl-1H-pyrazole-4-carboxylate

CAS No.:

100555-55-3

Catalog Number:

AG01AN9D

Molecular Formula:

C9H13ClN2O2

Molecular Weight:

216.6647

Catalog Number:

AG01AN9D

Chemical Name:

ethyl 5-(chloromethyl)-1,3-dimethyl-1H-pyrazole-4-carboxylate

CAS Number:

100555-55-3

Molecular Formula:

C9H13ClN2O2

Molecular Weight:

216.6647

MDL Number:

MFCD24464523

IUPAC Name:

ethyl 5-(chloromethyl)-1,3-dimethylpyrazole-4-carboxylate

InChI:

InChI=1S/C9H13ClN2O2/c1-4-14-9(13)8-6(2)11-12(3)7(8)5-10/h4-5H2,1-3H3

InChI Key:

FJZBGVNATIIYMB-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(C)nn(c1CCl)C

Complexity:

213

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

216.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

216.665g/mol

Monoisotopic Mass:

216.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3