Name: Name:ethyl 4-bromo-3-(bromomethyl)-1-methyl-1H-pyrazole-5-carboxylate
Brand: Angene
SKU: AG01DK1I
Rating: 90 (10 reviews)

ethyl 4-bromo-3-(bromomethyl)-1-methyl-1H-pyrazole-5-carboxylate

CAS No.:

1454848-19-1

Catalog Number:

AG01DK1I

Molecular Formula:

C8H10Br2N2O2

Molecular Weight:

325.9852

Catalog Number:

AG01DK1I

Chemical Name:

ethyl 4-bromo-3-(bromomethyl)-1-methyl-1H-pyrazole-5-carboxylate

CAS Number:

1454848-19-1

Molecular Formula:

C8H10Br2N2O2

Molecular Weight:

325.9852

MDL Number:

MFCD21609304

IUPAC Name:

ethyl 4-bromo-5-(bromomethyl)-2-methylpyrazole-3-carboxylate

InChI:

InChI=1S/C8H10Br2N2O2/c1-3-14-8(13)7-6(10)5(4-9)11-12(7)2/h3-4H2,1-2H3

InChI Key:

ZKLIVYLJJONLRY-UHFFFAOYSA-N

SMILES:

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

Complexity:

216

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

325.909g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

325.988g/mol

Monoisotopic Mass:

323.911g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

44.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.1