3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride

3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride

CAS: 261763-03-5

Formula: C8H2Cl2F4O

SMILES: FC1=C(Cl)C=C(C=C1C(Cl)=O)C(F)(F)F

IUPAC: 3-chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride

InChI: InChI=1S/C8H2Cl2F4O/c9-5-2-3(8(12,13)14)1-4(6(5)11)7(10)15/h1-2H

Composition: C (36.82%), H (0.77%), Cl (27.17%), F (29.12%), O (6.13%)

Molar Mass: 261

Atom Count: 17

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	259.9418827
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	WWXKIEVIKMYSCL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.17
Topological Polar Surface Area	17.07
Polarizability	17.43
Ring Count	1
Rotatable Bond Count	2

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