Home Halogens Benzeneethanamine, 3-bromo-4-methoxy-

Benzeneethanamine, 3-bromo-4-methoxy-

CAS No.:
159465-27-7
Catalog Number:
AG001R3T
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
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Product Description
Catalog Number:
AG001R3T
Chemical Name:
Benzeneethanamine, 3-bromo-4-methoxy-
CAS Number:
159465-27-7
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
MDL Number:
MFCD00153891
IUPAC Name:
2-(3-bromo-4-methoxyphenyl)ethanamine
InChI:
InChI=1S/C9H12BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4-5,11H2,1H3
InChI Key:
JHVALSRTUOVNLL-UHFFFAOYSA-N
SMILES:
NCCc1ccc(c(c1)Br)OC
Properties
Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.01g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.105g/mol
Monoisotopic Mass:
229.01g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties