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248275-68-5 | 1,5-Methano-3-benzazocine, 7,8-difluoro-1,2,3,4,5,6-hexahydro-
CAS No: 248275-68-5 Catalog No: AG002PLB MDL No:
Product Description
Catalog Number:
AG002PLB
Chemical Name:
1,5-Methano-3-benzazocine, 7,8-difluoro-1,2,3,4,5,6-hexahydro-
CAS Number:
248275-68-5
Molecular Formula:
C12H13F2N
Molecular Weight:
209.2351
IUPAC Name:
5,6-difluoro-11-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
InChI:
InChI=1S/C12H13F2N/c13-11-2-1-9-8-3-7(5-15-6-8)4-10(9)12(11)14/h1-2,7-8,15H,3-6H2
InChI Key:
HYDLTSOVXCUHPA-UHFFFAOYSA-N
SMILES:
Fc1c(F)ccc2c1CC1CNCC2C1
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.102g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.24g/mol
Monoisotopic Mass:
209.102g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Enantioselective synthesis of nicotinic receptor probe 7,8-difluoro-1,2,3,4,5,6- hexahydro-1,5-methano-3-benzazocine. | Organic letters 20061221 |
| In pursuit of alpha4beta2 nicotinic receptor partial agonists for smoking cessation: carbon analogs of (-)-cytisine. | Bioorganic & medicinal chemistry letters 20050615 |
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