ethyl 4-bromo-1,5-dimethylpyrazole-3-carboxylate


Chemical Name: ethyl 4-bromo-1,5-dimethylpyrazole-3-carboxylate
CAS Number: 5775-90-6
Product Number: AG00EKOZ(AGN-PC-0JVEZ3)
Synonyms:
MDL No:
Molecular Formula: C8H11BrN2O2
Molecular Weight: 247.0891

Identification/Properties


Computed Properties
Molecular Weight:
247.092g/mol
XLogP3:
1.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
246g/mol
Monoisotopic Mass:
246g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
201
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


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H311-H331
Precautionary Statements:
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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