1H-Indazole-1-carboxylic acid, 3-bromo-5-nitro-, 1,1-dimethylethyl ester


Chemical Name: 1H-Indazole-1-carboxylic acid, 3-bromo-5-nitro-, 1,1-dimethylethyl ester
CAS Number: 473416-22-7
Product Number: AG003E16(AGN-PC-03MZ31)
Synonyms:
MDL No: MFCD11617131
Molecular Formula: C12H12BrN3O4
Molecular Weight: 342.1454

Identification/Properties


Properties
Storage:
2-8℃;
Computed Properties
Molecular Weight:
342.149g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
341.001g/mol
Monoisotopic Mass:
341.001g/mol
Topological Polar Surface Area:
89.9A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
407
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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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