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1171697-10-1 | 2-Thiophenemethanamine, 4-bromo-, hydrochloride (1:1)
CAS No: 1171697-10-1 Catalog No: AG000DTT MDL No:MFCD09878584
Product Description
Catalog Number:
AG000DTT
Chemical Name:
2-Thiophenemethanamine, 4-bromo-, hydrochloride (1:1)
CAS Number:
1171697-10-1
Molecular Formula:
C5H7BrClNS
Molecular Weight:
228.5378
MDL Number:
MFCD09878584
IUPAC Name:
(4-bromothiophen-2-yl)methanamine;hydrochloride
InChI:
InChI=1S/C5H6BrNS.ClH/c6-4-1-5(2-7)8-3-4;/h1,3H,2,7H2;1H
InChI Key:
SBISERAPPQVAIN-UHFFFAOYSA-N
SMILES:
NCc1cc(cs1)Br.Cl
Properties
Complexity:
78.8
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.917g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
228.532g/mol
Monoisotopic Mass:
226.917g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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