tert-butyl 5-bromo-4-methylindazole-1-carboxylate


Chemical Name: tert-butyl 5-bromo-4-methylindazole-1-carboxylate
CAS Number: 1257535-48-0
Product Number: AG000OLW(AGN-PC-09SH4A)
Synonyms:
MDL No: MFCD16628188
Molecular Formula: C13H15BrN2O2
Molecular Weight: 311.1744

Identification/Properties


Computed Properties
Molecular Weight:
311.179g/mol
XLogP3:
3.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
310.032g/mol
Monoisotopic Mass:
310.032g/mol
Topological Polar Surface Area:
44.1A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
329
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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