methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate


Chemical Name: methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
CAS Number: 1232838-31-1
Product Number: AG000K95(AGN-PC-01XG01)
Synonyms:
MDL No:
Molecular Formula: C6H7BrN2O2
Molecular Weight: 219.0360

Identification/Properties


Computed Properties
Molecular Weight:
219.038g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
217.969g/mol
Monoisotopic Mass:
217.969g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
165
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


Request for Quotation


Customer Feedback