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19983-26-7 | Pyrrolidine, 1-benzo[b]thien-2-yl-
CAS No: 19983-26-7 Catalog No: AG002CD5 MDL No:
Product Description
Catalog Number:
AG002CD5
Chemical Name:
Pyrrolidine, 1-benzo[b]thien-2-yl-
CAS Number:
19983-26-7
Molecular Formula:
C12H13NS
Molecular Weight:
203.3033
IUPAC Name:
1-(1-benzothiophen-2-yl)pyrrolidine
InChI:
InChI=1S/C12H13NS/c1-2-6-11-10(5-1)9-12(14-11)13-7-3-4-8-13/h1-2,5-6,9H,3-4,7-8H2
InChI Key:
MTJPGYSOHJDUJM-UHFFFAOYSA-N
SMILES:
C1CCN(C1)c1cc2c(s1)cccc2
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.077g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.303g/mol
Monoisotopic Mass:
203.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
31.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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