5-Amino-2-bromo-isonicotinic acid methyl ester


Chemical Name: 5-Amino-2-bromo-isonicotinic acid methyl ester
CAS Number: 1363383-38-3
Product Number: AG0011RF(AGN-PC-0WAAZQ)
Synonyms:
MDL No:
Molecular Formula: C7H7BrN2O2
Molecular Weight: 231.0467

Identification/Properties


Computed Properties
Molecular Weight:
231.049g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
229.969g/mol
Monoisotopic Mass:
229.969g/mol
Topological Polar Surface Area:
65.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
177
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
Precautionary Statements:
P264-P270-P301+P312-P330
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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