4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile

4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile

CAS: 214470-68-5

Formula: C14H12Cl2N2O2

SMILES: COC1=CC2=C(Cl)C(=CN=C2C=C1OCCCCl)C#N

IUPAC: 4-chloro-7-(3-chloropropoxy)-6-methoxyquinoline-3-carbonitrile

InChI: InChI=1S/C14H12Cl2N2O2/c1-19-12-5-10-11(6-13(12)20-4-2-3-15)18-8-9(7-17)14(10)16/h5-6,8H,2-4H2,1H3

Composition: C (54.04%), H (3.89%), Cl (22.79%), N (9.00%), O (10.28%)

Molar Mass: 311.16

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	310.027583
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	BEGHZKYNLSIHIA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.64
Topological Polar Surface Area	55.14
Polarizability	31.22
Ring Count	2
Rotatable Bond Count	5

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