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1166853-02-6 | 2-Thiophenemethanamine, 5-(4-chlorophenyl)-, hydrochloride (1:1)
CAS No: 1166853-02-6 Catalog No: AG000CZF MDL No:MFCD02089432
Product Description
Catalog Number:
AG000CZF
Chemical Name:
2-Thiophenemethanamine, 5-(4-chlorophenyl)-, hydrochloride (1:1)
CAS Number:
1166853-02-6
Molecular Formula:
C11H11Cl2NS
Molecular Weight:
260.1827
MDL Number:
MFCD02089432
IUPAC Name:
[5-(4-chlorophenyl)thiophen-2-yl]methanamine;hydrochloride
InChI:
InChI=1S/C11H10ClNS.ClH/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11;/h1-6H,7,13H2;1H
InChI Key:
OGIWIXDYSIQBDS-UHFFFAOYSA-N
SMILES:
NCc1ccc(s1)c1ccc(cc1)Cl.Cl
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.176g/mol
Monoisotopic Mass:
258.999g/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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