4-(4-chlorophenyl)-2-(4-fluorophenyl)-4-oxobutanoic acid

4-(4-chlorophenyl)-2-(4-fluorophenyl)-4-oxobutanoic acid

CAS: 344280-79-1

Formula: C16H12ClFO3

SMILES: OC(=O)C(CC(=O)C1=CC=C(Cl)C=C1)C1=CC=C(F)C=C1

IUPAC: 4-(4-chlorophenyl)-2-(4-fluorophenyl)-4-oxobutanoic acid

InChI: InChI=1/C16H12ClFO3/c17-12-5-1-11(2-6-12)15(19)9-14(16(20)21)10-3-7-13(18)8-4-10/h1-8,14H,9H2,(H,20,21)

Composition: C (62.66%), H (3.94%), Cl (11.56%), F (6.19%), O (15.65%)

Molar Mass: 306.72

Atom Count: 33

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	306.0459001
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	XAKDDFGMUSJFHS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.04
Topological Polar Surface Area	54.37
Polarizability	29.44
Ring Count	2
Rotatable Bond Count	5

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90%	<2 Days	344280-79-1		$51.35-$524.40$51.35$63.37$86.31$524.40