6,8-dichloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid

6,8-dichloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid

CAS: 470693-57-3

Formula: C13H11Cl2NO2

SMILES: OC(=O)C1NC2=C(C=C(Cl)C=C2Cl)C2C=CCC12

IUPAC: 6,8-dichloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinoline-4-carboxylic acid

InChI: InChI=1/C13H11Cl2NO2/c14-6-4-9-7-2-1-3-8(7)12(13(17)18)16-11(9)10(15)5-6/h1-2,4-5,7-8,12,16H,3H2,(H,17,18)

Composition: C (54.95%), H (3.90%), Cl (24.95%), N (4.93%), O (11.26%)

Molar Mass: 284.14

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	3
Exact Mass	283.016684
Formal Charge	0
FSP3	0.31
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	CBSRXMMJHDMLKI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.54
Topological Polar Surface Area	49.33
Polarizability	26.98
Ring Count	3
Rotatable Bond Count	1

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