5-[(5-chloro-2-methoxybenzenesulfonyl)methyl]furan-2-carboxylic acid

5-[(5-chloro-2-methoxybenzenesulfonyl)methyl]furan-2-carboxylic acid

Formula: C13H11ClO6S

SMILES: COC1=CC=C(Cl)C=C1S(=O)(=O)CC1=CC=C(O1)C(O)=O

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

InChI: InChI=1S/C13H11ClO6S/c1-19-10-4-2-8(14)6-12(10)21(17,18)7-9-3-5-11(20-9)13(15)16/h2-6H,7H2,1H3,(H,15,16)

Composition: C (47.21%), H (3.35%), Cl (10.72%), O (29.02%), S (9.69%)

Molar Mass: 330.74

Atom Count: 32

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	329.9964869
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	UAMVAEQBUXNLHT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.97
Topological Polar Surface Area	93.81
Polarizability	29.7
Ring Count	2
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H11ClO6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00