methyl 6-bromo-1H-indazole-4-carboxylate


Chemical Name: methyl 6-bromo-1H-indazole-4-carboxylate
CAS Number: 885518-49-0
Product Number: AG003588(AGN-PC-04Q55U)
Synonyms:
MDL No: MFCD07781319
Molecular Formula: C9H7BrN2O2
Molecular Weight: 255.0681

Identification/Properties


Properties
Storage:
2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
255.071g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
253.969g/mol
Monoisotopic Mass:
253.969g/mol
Topological Polar Surface Area:
55A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
237
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:
Warning
UN#:
N/A
Hazard Statements:
H302
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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