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5-chloro-2-(4-fluorophenoxy)benzoic acid

5-chloro-2-(4-fluorophenoxy)benzoic acid

CAS: 847729-51-5

Formula: C13H8ClFO3

SMILES: OC(=O)C1=CC(Cl)=CC=C1OC1=CC=C(F)C=C1

IUPAC: 5-chloro-2-(4-fluorophenoxy)benzoic acid

InChI: InChI=1S/C13H8ClFO3/c14-8-1-6-12(11(7-8)13(16)17)18-10-4-2-9(15)3-5-10/h1-7H,(H,16,17)

Composition: C (58.56%), H (3.02%), Cl (13.29%), F (7.12%), O (18.00%)

Molar Mass: 266.65

Atom Count: 26

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 266.0146
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey MTUBNWMHXHNBLO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.58
Topological Polar Surface Area 46.53
Polarizability 24.6
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <2 Days 847729-51-5 $112.70-$2,290.80$112.70$135.70$158.70$193.20$572.70$2,290.80
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