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206559-44-6 | Benzeneethanamine, 5-bromo-2-methoxy-, hydrobromide (1:1)
CAS No: 206559-44-6 Catalog No: AG002IKB MDL No:MFCD00238752
Product Description
Catalog Number:
AG002IKB
Chemical Name:
Benzeneethanamine, 5-bromo-2-methoxy-, hydrobromide (1:1)
CAS Number:
206559-44-6
Molecular Formula:
C9H13Br2NO
Molecular Weight:
311.0136
MDL Number:
MFCD00238752
IUPAC Name:
2-(5-bromo-2-methoxyphenyl)ethanamine;hydrobromide
InChI:
InChI=1S/C9H12BrNO.BrH/c1-12-9-3-2-8(10)6-7(9)4-5-11;/h2-3,6H,4-5,11H2,1H3;1H
InChI Key:
NWMRUSBUYMGDSC-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1CCN)Br.Br
Properties
Complexity:
132
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.934g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.017g/mol
Monoisotopic Mass:
308.936g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
35.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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