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2,4-bis(trifluoromethyl)benzoyl chloride

2,4-bis(trifluoromethyl)benzoyl chloride

CAS: 53130-43-1

Formula: C9H3ClF6O

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

IUPAC: 2,4-bis(trifluoromethyl)benzoyl chloride

InChI: InChI=1S/C9H3ClF6O/c10-7(17)5-2-1-4(8(11,12)13)3-6(5)9(14,15)16/h1-3H

Composition: C (39.09%), H (1.09%), Cl (12.82%), F (41.22%), O (5.78%)

Molar Mass: 276.56

Atom Count: 20

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 275.9776614
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey TZXHEDOCQVTEPT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.12
Topological Polar Surface Area 17.07
Polarizability 17.17
Ring Count 1
Rotatable Bond Count 3

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