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

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

CAS: 507487-25-4

Formula: C11H10Cl2N2O

SMILES: ClCC1=NC(Cl)=C2C3=C(CCCC3)OC2=N1

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

InChI: InChI=1S/C11H10Cl2N2O/c12-5-8-14-10(13)9-6-3-1-2-4-7(6)16-11(9)15-8/h1-5H2

Composition: C (51.39%), H (3.92%), Cl (27.58%), N (10.90%), O (6.22%)

Molar Mass: 257.11

Atom Count: 26

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	256.0170184
Formal Charge	0
FSP3	0.45
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZDYOKELKTJJDIY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.27
Topological Polar Surface Area	38.92
Polarizability	24.42
Ring Count	3
Rotatable Bond Count	1

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