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913614-18-3 | 1-(Benzo[b]thiophen-4-yl)piperazine hydrochloride
CAS No: 913614-18-3 Catalog No: AG003DYX MDL No:MFCD26743820
Product Description
Catalog Number:
AG003DYX
Chemical Name:
1-(Benzo[b]thiophen-4-yl)piperazine hydrochloride
CAS Number:
913614-18-3
Molecular Formula:
C12H15ClN2S
Molecular Weight:
254.7789
MDL Number:
MFCD26743820
IUPAC Name:
1-(1-benzothiophen-4-yl)piperazine;hydrochloride
InChI:
InChI=1S/C12H14N2S.ClH/c1-2-11(14-7-5-13-6-8-14)10-4-9-15-12(10)3-1;/h1-4,9,13H,5-8H2;1H
InChI Key:
XDUUWPNOUUQXBX-UHFFFAOYSA-N
SMILES:
N1CCN(CC1)c1cccc2c1ccs2.Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.064g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.776g/mol
Monoisotopic Mass:
254.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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