10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.0²,?]dodeca-2(6),7,9,11-tetraene

10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.0²,?]dodeca-2(6),7,9,11-tetraene

CAS: 685107-07-7

Formula: C11H12ClN3

SMILES: CC1=NN2C3=C(CCC3)C(C)=NC2=C1Cl

IUPAC: 10-chloro-7,11-dimethyl-1,8,12-triazatricyclo[7.3.0.0²,?]dodeca-2(6),7,9,11-tetraene

InChI: InChI=1S/C11H12ClN3/c1-6-8-4-3-5-9(8)15-11(13-6)10(12)7(2)14-15/h3-5H2,1-2H3

Composition: C (59.60%), H (5.46%), Cl (15.99%), N (18.96%)

Molar Mass: 221.69

Atom Count: 27

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	221.0719751
Formal Charge	0
FSP3	0.45
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	XITROMIMEXHPLF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	70.67
Topological Polar Surface Area	30.19
Polarizability	22.49
Ring Count	3
Rotatable Bond Count	0

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	685107-07-7		$51.35-$86.31$51.35$63.37$86.31