6-bromo-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine


Chemical Name: 6-bromo-3-methyl[1,2,4]triazolo[4,3-a]pyrimidine
CAS Number: 1368328-57-7
Product Number: AG00J2XX(AGN-PC-0WB66N)
Synonyms:
MDL No: MFCD11043988
Molecular Formula: C6H5BrN4
Molecular Weight: 213.0347

Identification/Properties


Computed Properties
Molecular Weight:
213.038g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
211.97g/mol
Monoisotopic Mass:
211.97g/mol
Topological Polar Surface Area:
43.1A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
154
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

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NMR Spectrum


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