2-Amino-5-bromoisonicotinic acid


Chemical Name: 2-Amino-5-bromoisonicotinic acid
CAS Number: 1000339-23-0
Product Number: AG0000CP(AGN-PC-07A7SI)
Synonyms:
MDL No: MFCD09878357
Molecular Formula: C6H5BrN2O2
Molecular Weight: 217.0201

Identification/Properties


Computed Properties
Molecular Weight:
217.022g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
215.953g/mol
Monoisotopic Mass:
215.953g/mol
Topological Polar Surface Area:
76.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
165
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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