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5-(2,3,5,6-tetrafluorophenoxymethyl)furan-2-carboxylic acid

5-(2,3,5,6-tetrafluorophenoxymethyl)furan-2-carboxylic acid

CAS: 406470-51-7

Formula: C12H6F4O4

SMILES: OC(=O)C1=CC=C(COC2=C(F)C(F)=CC(F)=C2F)O1

IUPAC: 5-[(2,3,5,6-tetrafluorophenoxy)methyl]furan-2-carboxylic acid

InChI: InChI=1S/C12H6F4O4/c13-6-3-7(14)10(16)11(9(6)15)19-4-5-1-2-8(20-5)12(17)18/h1-3H,4H2,(H,17,18)

Composition: C (49.67%), H (2.08%), F (26.19%), O (22.05%)

Molar Mass: 290.17

Atom Count: 26

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 290.020221325
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IUIPFSMKGPFVTN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.52
Topological Polar Surface Area 59.67
Polarizability 21.04
Ring Count 2
Rotatable Bond Count 4

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