5-(2,5-dichlorophenoxymethyl)furan-2-carboxylic acid

5-(2,5-dichlorophenoxymethyl)furan-2-carboxylic acid

CAS: 364616-14-8

Formula: C12H8Cl2O4

SMILES: OC(=O)C1=CC=C(COC2=CC(Cl)=CC=C2Cl)O1

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

InChI: InChI=1S/C12H8Cl2O4/c13-7-1-3-9(14)11(5-7)17-6-8-2-4-10(18-8)12(15)16/h1-5H,6H2,(H,15,16)

Composition: C (50.20%), H (2.81%), Cl (24.70%), O (22.29%)

Molar Mass: 287.09

Atom Count: 26

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	285.9799641
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	FVABYPFRCFVPJJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.27
Topological Polar Surface Area	59.67
Polarizability	25.57
Ring Count	2
Rotatable Bond Count	4

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