methyl 5-(4-chloro-3,5-dimethylphenoxymethyl)furan-2-carboxylate

methyl 5-(4-chloro-3,5-dimethylphenoxymethyl)furan-2-carboxylate

CAS: 438221-88-6

Formula: C15H15ClO4

SMILES: COC(=O)C1=CC=C(COC2=CC(C)=C(Cl)C(C)=C2)O1

IUPAC: methyl 5-[(4-chloro-3,5-dimethylphenoxy)methyl]furan-2-carboxylate

InChI: InChI=1S/C15H15ClO4/c1-9-6-12(7-10(2)14(9)16)19-8-11-4-5-13(20-11)15(17)18-3/h4-7H,8H2,1-3H3

Composition: C (61.13%), H (5.13%), Cl (12.03%), O (21.71%)

Molar Mass: 294.73

Atom Count: 35

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	294.0658867
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LWRGYOFYRSGRHE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.31
Topological Polar Surface Area	48.67
Polarizability	29.17
Ring Count	2
Rotatable Bond Count	5

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