Benzoic acid, 2-amino-5-bromo-, ethyl ester


Chemical Name: Benzoic acid, 2-amino-5-bromo-, ethyl ester
CAS Number: 63243-76-5
Product Number: AG00ED9F(AGN-PC-0K6AIV)
Synonyms:
MDL No:
Molecular Formula: C9H10BrNO2
Molecular Weight: 244.0852

Identification/Properties


Properties
MP:
187℃(Solv: ethanol (64-17-5))
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
244.088g/mol
XLogP3:
3.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
242.989g/mol
Monoisotopic Mass:
242.989g/mol
Topological Polar Surface Area:
52.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
187
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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