Pyrazinecarboxylic acid, 3-amino-6-bromo-, methyl ester


Chemical Name: Pyrazinecarboxylic acid, 3-amino-6-bromo-, methyl ester
CAS Number: 6966-01-4
Product Number: AG00356K(AGN-PC-0JO6NY)
Synonyms:
MDL No:
Molecular Formula: C6H6BrN3O2
Molecular Weight: 232.0347

Identification/Properties


Properties
MP:
175.3 - 175.9 °C
BP:
322.4°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
232.037g/mol
XLogP3:
1.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
230.964g/mol
Monoisotopic Mass:
230.964g/mol
Topological Polar Surface Area:
78.1A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
178
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:
H317
Precautionary Statements:
P261-P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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