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ethyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate

ethyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate

CAS: 63218-45-1

Formula: C13H14Cl2O3

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

IUPAC: ethyl 2-[(2,4-dichlorophenyl)methyl]-3-oxobutanoate

InChI: InChI=1/C13H14Cl2O3/c1-3-18-13(17)11(8(2)16)6-9-4-5-10(14)7-12(9)15/h4-5,7,11H,3,6H2,1-2H3

Composition: C (54.00%), H (4.88%), Cl (24.52%), O (16.60%)

Molar Mass: 289.15

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 288.0319997
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IKFUFYQFIKYEGT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.94
Topological Polar Surface Area 43.37
Polarizability 27.87
Ring Count 1
Rotatable Bond Count 6

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