5-(2-fluorophenoxymethyl)furan-2-carboxylic acid

5-(2-fluorophenoxymethyl)furan-2-carboxylic acid

CAS: 893743-46-9

Formula: C12H9FO4

SMILES: OC(=O)C1=CC=C(COC2=C(F)C=CC=C2)O1

IUPAC: 5-[(2-fluorophenoxy)methyl]furan-2-carboxylic acid

InChI: InChI=1S/C12H9FO4/c13-9-3-1-2-4-10(9)16-7-8-5-6-11(17-8)12(14)15/h1-6H,7H2,(H,14,15)

Composition: C (61.02%), H (3.84%), F (8.04%), O (27.09%)

Molar Mass: 236.198

Atom Count: 26

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	236.048486933
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BKCYPRWSYNQSTF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.87
Topological Polar Surface Area	59.67
Polarizability	21.43
Ring Count	2
Rotatable Bond Count	4

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