3-(3-fluoro-4-methoxybenzenesulfonyl)propanoic acid

3-(3-fluoro-4-methoxybenzenesulfonyl)propanoic acid

Formula: C10H11FO5S

SMILES: COC1=CC=C(C=C1F)S(=O)(=O)CCC(O)=O

IUPAC: 3-(3-fluoro-4-methoxybenzenesulfonyl)propanoic acid

InChI: InChI=1S/C10H11FO5S/c1-16-9-3-2-7(6-8(9)11)17(14,15)5-4-10(12)13/h2-3,6H,4-5H2,1H3,(H,12,13)

Composition: C (45.80%), H (4.23%), F (7.24%), O (30.50%), S (12.22%)

Molar Mass: 262.25

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	262.031122791
Formal Charge	0
FSP3	0.3
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	VGMLWJTXIFCYGY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.44
Topological Polar Surface Area	80.67
Polarizability	22.93
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C10H11FO5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00