Benzeneethanamine, 3-bromo-4-methoxy-


Chemical Name: Benzeneethanamine, 3-bromo-4-methoxy-
CAS Number: 159465-27-7
Product Number: AG001R3T(AGN-PC-0KK777)
Synonyms:
MDL No:
Molecular Formula: C9H12BrNO
Molecular Weight: 230.1017

Identification/Properties


Computed Properties
Molecular Weight:
230.105g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
229.01g/mol
Monoisotopic Mass:
229.01g/mol
Topological Polar Surface Area:
35.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
132
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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