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9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0²,?.0?,¹²]octadeca-1(14),2(6),7,9,11,15,17-heptaene

9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0²,?.0?,¹²]octadeca-1(14),2(6),7,9,11,15,17-heptaene

CAS: 27449-95-2

Formula: C17H14ClNO

SMILES: CN1CC2=C(C1)C1=C(OC3=CC=C(Cl)C=C23)C=CC=C1

IUPAC: 9-chloro-4-methyl-13-oxa-4-azatetracyclo[12.4.0.0²,?.0?,¹²]octadeca-1(14),2(6),7,9,11,15,17-heptaene

InChI: InChI=1S/C17H14ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8H,9-10H2,1H3

Composition: C (71.96%), H (4.97%), Cl (12.49%), N (4.94%), O (5.64%)

Molar Mass: 283.76

Atom Count: 34

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 283.0763918
Formal Charge 0
FSP3 0.18
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey ASVOBJGTTRHXOD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.08
Topological Polar Surface Area 12.47
Polarizability 31.54
Ring Count 4
Rotatable Bond Count 0

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