ethyl 4,6-bis(4-chlorophenyl)-2-oxocyclohex-3-ene-1-carboxylate

ethyl 4,6-bis(4-chlorophenyl)-2-oxocyclohex-3-ene-1-carboxylate

CAS: 26379-96-4

Formula: C21H18Cl2O3

SMILES: CCOC(=O)C1C(CC(=CC1=O)C1=CC=C(Cl)C=C1)C1=CC=C(Cl)C=C1

IUPAC: ethyl 4,6-bis(4-chlorophenyl)-2-oxocyclohex-3-ene-1-carboxylate

InChI: InChI=1/C21H18Cl2O3/c1-2-26-21(25)20-18(14-5-9-17(23)10-6-14)11-15(12-19(20)24)13-3-7-16(22)8-4-13/h3-10,12,18,20H,2,11H2,1H3

Composition: C (64.80%), H (4.66%), Cl (18.21%), O (12.33%)

Molar Mass: 389.27

Atom Count: 44

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	388.0632998
Formal Charge	0
FSP3	0.24
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VTXYDRYEGXEPOA-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	103.78
Topological Polar Surface Area	43.37
Polarizability	40.09
Ring Count	3
Rotatable Bond Count	5

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