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192518-26-6 | Methanone, 3-azabicyclo[3.2.2]non-3-yl(5-chloro-4-methoxy-3-thienyl)-
CAS No: 192518-26-6 Catalog No: AG002G2D MDL No:
Product Description
Catalog Number:
AG002G2D
Chemical Name:
Methanone, 3-azabicyclo[3.2.2]non-3-yl(5-chloro-4-methoxy-3-thienyl)-
CAS Number:
192518-26-6
Molecular Formula:
C14H18ClNO2S
Molecular Weight:
299.8162
IUPAC Name:
3-azabicyclo[3.2.2]nonan-3-yl-(5-chloro-4-methoxythiophen-3-yl)methanone
InChI:
InChI=1S/C14H18ClNO2S/c1-18-12-11(8-19-13(12)15)14(17)16-6-9-2-3-10(7-16)5-4-9/h8-10H,2-7H2,1H3
InChI Key:
MHGUTMMPUBZRIS-UHFFFAOYSA-N
SMILES:
COc1c(Cl)scc1C(=O)N1CC2CCC(C1)CC2
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.813g/mol
Monoisotopic Mass:
299.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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