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12-fluoro-4-iodo-9-oxa-3,6-diazatricyclo[8.4.0.0²,?]tetradeca-1(14),2,4,10,12-pentaene

12-fluoro-4-iodo-9-oxa-3,6-diazatricyclo[8.4.0.0²,?]tetradeca-1(14),2,4,10,12-pentaene

CAS: 1282517-42-3

Formula: C11H8FIN2O

SMILES: FC1=CC=C2C3=NC(I)=CN3CCOC2=C1

IUPAC: 12-fluoro-4-iodo-9-oxa-3,6-diazatricyclo[8.4.0.0²,?]tetradeca-1(14),2,4,10,12-pentaene

InChI: InChI=1S/C11H8FIN2O/c12-7-1-2-8-9(5-7)16-4-3-15-6-10(13)14-11(8)15/h1-2,5-6H,3-4H2

Composition: C (40.02%), H (2.44%), F (5.76%), I (38.44%), N (8.49%), O (4.85%)

Molar Mass: 330.101

Atom Count: 24

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 329.96654
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey OFYSVUWJIRLISM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 76.79
Topological Polar Surface Area 27.05
Polarizability 25.98
Ring Count 3
Rotatable Bond Count 0

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