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89516-05-2 | Benzothiazole, 2-(octahydro-4,7-methano-1H-inden-5-yl)-
CAS No: 89516-05-2 Catalog No: AG0087H9 MDL No:
Product Description
Catalog Number:
AG0087H9
Chemical Name:
Benzothiazole, 2-(octahydro-4,7-methano-1H-inden-5-yl)-
CAS Number:
89516-05-2
Molecular Formula:
C17H19NS
Molecular Weight:
269.4045
IUPAC Name:
2-(8-tricyclo[5.2.1.02,6]decanyl)-1,3-benzothiazole
InChI:
InChI=1S/C17H19NS/c1-2-7-16-15(6-1)18-17(19-16)14-9-10-8-13(14)12-5-3-4-11(10)12/h1-2,6-7,10-14H,3-5,8-9H2
InChI Key:
JDNUELNFDMAKDT-UHFFFAOYSA-N
SMILES:
C1CC2C(C1)C1CC2CC1c1nc2c(s1)cccc2
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.124g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.406g/mol
Monoisotopic Mass:
269.124g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
5
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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