methyl 4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-4-oxobutanoate

methyl 4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-4-oxobutanoate

CAS: 344280-86-0

Formula: C17H13Cl3O3

SMILES: COC(=O)C(CC(=O)C1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1Cl

IUPAC: methyl 4-(4-chlorophenyl)-2-(2,6-dichlorophenyl)-4-oxobutanoate

InChI: InChI=1/C17H13Cl3O3/c1-23-17(22)12(16-13(19)3-2-4-14(16)20)9-15(21)10-5-7-11(18)8-6-10/h2-8,12H,9H2,1H3

Composition: C (54.94%), H (3.53%), Cl (28.62%), O (12.91%)

Molar Mass: 371.64

Atom Count: 36

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	369.9930274
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LEWDUCQFSSUPFM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.21
Topological Polar Surface Area	43.37
Polarizability	35.63
Ring Count	2
Rotatable Bond Count	6

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