Home Halogens 1-(4-bromo-2-methoxyphenyl)ethan-1-amine

1-(4-bromo-2-methoxyphenyl)ethan-1-amine

CAS No.:
138228-13-4
Catalog Number:
AG01B1P1
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
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Product Description
Catalog Number:
AG01B1P1
Chemical Name:
1-(4-bromo-2-methoxyphenyl)ethan-1-amine
CAS Number:
138228-13-4
Molecular Formula:
C9H12BrNO
Molecular Weight:
230.1017
MDL Number:
MFCD18705432
IUPAC Name:
1-(4-bromo-2-methoxyphenyl)ethanamine
InChI:
InChI=1S/C9H12BrNO/c1-6(11)8-4-3-7(10)5-9(8)12-2/h3-6H,11H2,1-2H3
InChI Key:
YNTNFAMPGFYIOW-UHFFFAOYSA-N
SMILES:
COc1cc(Br)ccc1C(N)C
Properties
Complexity:
143  
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:
2  
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties