Benzoic acid, 3-amino-4-bromo-, methyl ester


Chemical Name: Benzoic acid, 3-amino-4-bromo-, methyl ester
CAS Number: 46064-79-3
Product Number: AG003RR2(AGN-PC-0L2CS0)
Synonyms:
MDL No: MFCD00553090
Molecular Formula: C8H8BrNO2
Molecular Weight: 230.0586

Identification/Properties


Properties
MP:
118-120°C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
230.061g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
228.974g/mol
Monoisotopic Mass:
228.974g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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


NMR Spectrum


Other Analytical Data


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