3-chloro-1-(4-fluorophenyl)propan-1-one

3-chloro-1-(4-fluorophenyl)propan-1-one

CAS: 347-93-3

Formula: C9H8ClFO

SMILES: FC1=CC=C(C=C1)C(=O)CCCl

IUPAC: 3-chloro-1-(4-fluorophenyl)propan-1-one

InChI: InChI=1S/C9H8ClFO/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4H,5-6H2

Composition: C (57.93%), H (4.32%), Cl (19.00%), F (10.18%), O (8.57%)

Molar Mass: 186.61

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	186.0247707
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	AAHQPLJUSLMHHR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.13
Topological Polar Surface Area	17.07
Polarizability	17.44
Ring Count	1
Rotatable Bond Count	3

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