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3-fluoro-5-(trifluoromethoxy)benzoyl chloride

3-fluoro-5-(trifluoromethoxy)benzoyl chloride

CAS: 1352999-78-0

Formula: C8H3ClF4O2

SMILES: FC1=CC(OC(F)(F)F)=CC(=C1)C(Cl)=O

IUPAC: 3-fluoro-5-(trifluoromethoxy)benzoyl chloride

InChI: InChI=1S/C8H3ClF4O2/c9-7(14)4-1-5(10)3-6(2-4)15-8(11,12)13/h1-3H

Composition: C (39.62%), H (1.25%), Cl (14.62%), F (31.33%), O (13.19%)

Molar Mass: 242.55

Atom Count: 18

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 241.9757697
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey DKXNRFRUJWZSOZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.46
Topological Polar Surface Area 26.3
Polarizability 16.2
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 1352999-78-0 $279.68-$1,934.82$279.68$279.68$558.27$558.27$1,934.82$1,934.82
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