4-(2,2,2-trifluoroacetyl)benzoyl chloride

4-(2,2,2-trifluoroacetyl)benzoyl chloride

CAS: 58808-60-9

Formula: C9H4ClF3O2

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

IUPAC: 4-(2,2,2-trifluoroacetyl)benzoyl chloride

InChI: InChI=1S/C9H4ClF3O2/c10-8(15)6-3-1-5(2-4-6)7(14)9(11,12)13/h1-4H

Composition: C (45.69%), H (1.70%), Cl (14.98%), F (24.09%), O (13.53%)

Molar Mass: 236.57

Atom Count: 19

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	235.9851916
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	RBOMQQAMVJDXBU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	48.59
Topological Polar Surface Area	34.14
Polarizability	17.44
Ring Count	1
Rotatable Bond Count	3

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