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164020-79-5 | 2-(2-Bromo-4,5-dimethoxy-phenyl)-ethyl-ammonium bromide
CAS No: 164020-79-5 Catalog No: AG01F2JH MDL No:
Product Description
Catalog Number:
AG01F2JH
Chemical Name:
2-(2-Bromo-4,5-dimethoxy-phenyl)-ethyl-ammonium bromide
CAS Number:
164020-79-5
Molecular Formula:
C10H15Br2NO2
Molecular Weight:
341.0396
IUPAC Name:
2-(2-bromo-4,5-dimethoxyphenyl)ethylazanium;bromide
InChI:
InChI=1S/C10H14BrNO2.BrH/c1-13-9-5-7(3-4-12)8(11)6-10(9)14-2;/h5-6H,3-4,12H2,1-2H3;1H
InChI Key:
YCLCCQUDHAHZRK-UHFFFAOYSA-N
SMILES:
COc1cc(CC[NH3+])c(cc1OC)Br.[Br-]
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.945g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
341.043g/mol
Monoisotopic Mass:
338.947g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
46.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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