4-(2-chlorophenoxymethyl)-5-methylfuran-2-carboxylic acid

4-(2-chlorophenoxymethyl)-5-methylfuran-2-carboxylic acid

Formula: C13H11ClO4

SMILES: CC1=C(COC2=CC=CC=C2Cl)C=C(O1)C(O)=O

IUPAC: 4-[(2-chlorophenoxy)methyl]-5-methylfuran-2-carboxylic acid

InChI: InChI=1S/C13H11ClO4/c1-8-9(6-12(18-8)13(15)16)7-17-11-5-3-2-4-10(11)14/h2-6H,7H2,1H3,(H,15,16)

Composition: C (58.55%), H (4.16%), Cl (13.29%), O (24.00%)

Molar Mass: 266.68

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	266.0345865
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RJQKXNXJUSWHDZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.74
Topological Polar Surface Area	59.67
Polarizability	25.37
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H11ClO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00