methyl 5-(2-chloro-4-fluorophenoxymethyl)furan-2-carboxylate

methyl 5-(2-chloro-4-fluorophenoxymethyl)furan-2-carboxylate

CAS: 438220-96-3

Formula: C13H10ClFO4

SMILES: COC(=O)C1=CC=C(COC2=CC=C(F)C=C2Cl)O1

IUPAC: methyl 5-[(2-chloro-4-fluorophenoxy)methyl]furan-2-carboxylate

InChI: InChI=1S/C13H10ClFO4/c1-17-13(16)12-5-3-9(19-12)7-18-11-4-2-8(15)6-10(11)14/h2-6H,7H2,1H3

Composition: C (54.85%), H (3.54%), Cl (12.45%), F (6.67%), O (22.48%)

Molar Mass: 284.67

Atom Count: 29

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	284.0251647
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NWMQOAFAUUOKJW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.45
Topological Polar Surface Area	48.67
Polarizability	25.46
Ring Count	2
Rotatable Bond Count	5

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