methyl 2-(2H-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-4-oxobutanoate

methyl 2-(2H-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-4-oxobutanoate

CAS: 329701-58-8

Formula: C18H15FO5

SMILES: COC(=O)C(CC(=O)C1=CC=C(F)C=C1)C1=CC2=C(OCO2)C=C1

IUPAC: methyl 2-(2H-1,3-benzodioxol-5-yl)-4-(4-fluorophenyl)-4-oxobutanoate

InChI: InChI=1/C18H15FO5/c1-22-18(21)14(9-15(20)11-2-5-13(19)6-3-11)12-4-7-16-17(8-12)24-10-23-16/h2-8,14H,9-10H2,1H3

Composition: C (65.45%), H (4.58%), F (5.75%), O (24.22%)

Molar Mass: 330.311

Atom Count: 39

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	330.090351746
Formal Charge	0
FSP3	0.22
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	SAWCDBKWKFKARH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.78
Topological Polar Surface Area	61.83
Polarizability	32.14
Ring Count	3
Rotatable Bond Count	6

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