6-chloro-8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraene

6-chloro-8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraene

CAS: 1132690-77-7

Formula: C10H9ClN2O

SMILES: ClC1=C2OC3=C(CCCC3)C2=NC=N1

IUPAC: 6-chloro-8-oxa-3,5-diazatricyclo[7.4.0.0²,?]trideca-1(9),2,4,6-tetraene

InChI: InChI=1S/C10H9ClN2O/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h5H,1-4H2

Composition: C (57.57%), H (4.35%), Cl (16.99%), N (13.43%), O (7.67%)

Molar Mass: 208.65

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	208.0403406
Formal Charge	0
FSP3	0.4
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FBWZRSMQWFNMSI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.57
Topological Polar Surface Area	38.92
Polarizability	21.38
Ring Count	3
Rotatable Bond Count	0

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