Name: Name:1H-Pyrazole-5-carboxylic acid, 4-bromo-3-ethyl-1-methyl-, ethyl ester
Brand: Angene
SKU: AG000Y65
Rating: 90 (10 reviews)

1H-Pyrazole-5-carboxylic acid, 4-bromo-3-ethyl-1-methyl-, ethyl ester

CAS No.:

128537-28-0

Catalog Number:

AG000Y65

Molecular Formula:

C9H13BrN2O2

Molecular Weight:

261.1157

Catalog Number:

AG000Y65

Chemical Name:

1H-Pyrazole-5-carboxylic acid, 4-bromo-3-ethyl-1-methyl-, ethyl ester

CAS Number:

128537-28-0

Molecular Formula:

C9H13BrN2O2

Molecular Weight:

261.1157

MDL Number:

MFCD08459053

IUPAC Name:

ethyl 4-bromo-5-ethyl-2-methylpyrazole-3-carboxylate

InChI:

InChI=1S/C9H13BrN2O2/c1-4-6-7(10)8(12(3)11-6)9(13)14-5-2/h4-5H2,1-3H3

InChI Key:

TVDSGCQSIKEUEV-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1n(C)nc(c1Br)CC

Complexity:

213

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

260.016g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

261.119g/mol

Monoisotopic Mass:

260.016g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3