methyl 2-(2,6-dichlorophenyl)-4-oxo-4-phenylbutanoate

methyl 2-(2,6-dichlorophenyl)-4-oxo-4-phenylbutanoate

CAS: 344281-12-5

Formula: C17H14Cl2O3

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

IUPAC: methyl 2-(2,6-dichlorophenyl)-4-oxo-4-phenylbutanoate

InChI: InChI=1/C17H14Cl2O3/c1-22-17(21)12(16-13(18)8-5-9-14(16)19)10-15(20)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3

Composition: C (60.55%), H (4.19%), Cl (21.03%), O (14.23%)

Molar Mass: 337.2

Atom Count: 36

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	336.0319997
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	FQQJZEKLZCFKTL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.4
Topological Polar Surface Area	43.37
Polarizability	33.71
Ring Count	2
Rotatable Bond Count	6

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