13-chloro-11-methyl-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile

13-chloro-11-methyl-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile

Formula: C13H8ClN3

SMILES: CC1=C(C#N)C2=NC3=CC=CC=C3N2C(Cl)=C1

IUPAC: 13-chloro-11-methyl-1,8-diazatricyclo[7.4.0.0²,?]trideca-2,4,6,8,10,12-hexaene-10-carbonitrile

InChI: InChI=1S/C13H8ClN3/c1-8-6-12(14)17-11-5-3-2-4-10(11)16-13(17)9(8)7-15/h2-6H,1H3

Composition: C (64.61%), H (3.34%), Cl (14.67%), N (17.39%)

Molar Mass: 241.68

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	241.040675
Formal Charge	0
FSP3	0.08
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	AKFXQYMORAUSBD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.46
Topological Polar Surface Area	41.09
Polarizability	26.29
Ring Count	3
Rotatable Bond Count	0

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H8ClN3		Quote Only