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1172469-40-7 | 2-Thiopheneethanamine, 4-bromo-, hydrochloride (1:1)
CAS No: 1172469-40-7 Catalog No: AG000DZC MDL No:MFCD09701225
Product Description
Catalog Number:
AG000DZC
Chemical Name:
2-Thiopheneethanamine, 4-bromo-, hydrochloride (1:1)
CAS Number:
1172469-40-7
Molecular Formula:
C6H9BrClNS
Molecular Weight:
242.5644
MDL Number:
MFCD09701225
IUPAC Name:
2-(4-bromothiophen-2-yl)ethanamine;hydrochloride
InChI:
InChI=1S/C6H8BrNS.ClH/c7-5-3-6(1-2-8)9-4-5;/h3-4H,1-2,8H2;1H
InChI Key:
QAOJGFACAPVIKY-UHFFFAOYSA-N
SMILES:
NCCc1cc(cs1)Br.Cl
Properties
Complexity:
89.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.933g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.559g/mol
Monoisotopic Mass:
240.933g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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