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1-{2-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}-2-chloropropan-1-one

1-{2-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}-2-chloropropan-1-one

Formula: C17H16ClNO

SMILES: CC(Cl)C(=O)N1C2=CC=CC=C2CCC2=C1C=CC=C2

IUPAC: 1-{2-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-2-yl}-2-chloropropan-1-one

InChI: InChI=1/C17H16ClNO/c1-12(18)17(20)19-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)19/h2-9,12H,10-11H2,1H3

Composition: C (71.45%), H (5.64%), Cl (12.41%), N (4.90%), O (5.60%)

Molar Mass: 285.77

Atom Count: 36

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 285.0920418
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey DFFNQNMWXYFKSF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.34
Topological Polar Surface Area 20.31
Polarizability 31.24
Ring Count 3
Rotatable Bond Count 1

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H16ClNO $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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