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4-fluoro-3-(trifluoromethyl)benzoyl chloride

4-fluoro-3-(trifluoromethyl)benzoyl chloride

CAS: 67515-56-4

Formula: C8H3ClF4O

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

IUPAC: 4-fluoro-3-(trifluoromethyl)benzoyl chloride

InChI: InChI=1S/C8H3ClF4O/c9-7(14)4-1-2-6(10)5(3-4)8(11,12)13/h1-3H

Composition: C (42.41%), H (1.33%), Cl (15.65%), F (33.54%), O (7.06%)

Molar Mass: 226.55

Atom Count: 17

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 225.9808551
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BUDISZQHCHGLJW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.36
Topological Polar Surface Area 17.07
Polarizability 15.39
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 67515-56-4 $10.35-$40.25$10.35$40.25
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98% <7 Days 67515-56-4 $16.56-$72.45$16.56$18.63$72.45
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