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833458-57-4 | 5,8-Methano-9H-cyclohepta[c]pyridin-9-one, 1-fluoro-5,8-dihydro-
CAS No: 833458-57-4 Catalog No: AG0055MO MDL No:
Product Description
Catalog Number:
AG0055MO
Chemical Name:
5,8-Methano-9H-cyclohepta[c]pyridin-9-one, 1-fluoro-5,8-dihydro-
CAS Number:
833458-57-4
Molecular Formula:
C11H8FNO
Molecular Weight:
189.1857
IUPAC Name:
6-fluoro-5-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5,10-tetraen-8-one
InChI:
InChI=1S/C11H8FNO/c12-11-9-8(3-4-13-11)6-1-2-7(5-6)10(9)14/h1-4,6-7H,5H2
InChI Key:
PTRNQPQAFMNDLK-UHFFFAOYSA-N
SMILES:
O=C1C2C=CC(C2)c2c1c(F)ncc2
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.059g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.189g/mol
Monoisotopic Mass:
189.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
30A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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