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4,6-dichloro-8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

4,6-dichloro-8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

CAS: 160199-95-1

Formula: C10H4Cl2N2O

SMILES: ClC1=NC2=C(OC3=C2C=CC=C3)C(Cl)=N1

IUPAC: 4,6-dichloro-8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2(7),3,5,10,12-hexaene

InChI: InChI=1S/C10H4Cl2N2O/c11-9-8-7(13-10(12)14-9)5-3-1-2-4-6(5)15-8/h1-4H

Composition: C (50.24%), H (1.69%), Cl (29.66%), N (11.72%), O (6.69%)

Molar Mass: 239.06

Atom Count: 19

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 237.9700682
Formal Charge 0
FSP3 0
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey PHHATHMJJOZFEK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.88
Topological Polar Surface Area 38.92
Polarizability 24.42
Ring Count 3
Rotatable Bond Count 0

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