Text Search
Structure Search

5-(chlorosulfonyl)-2-(3-methoxypropoxy)benzoic acid

5-(chlorosulfonyl)-2-(3-methoxypropoxy)benzoic acid

Formula: C11H13ClO6S

SMILES: COCCCOC1=C(C=C(C=C1)S(Cl)(=O)=O)C(O)=O

IUPAC: 5-(chlorosulfonyl)-2-(3-methoxypropoxy)benzoic acid

InChI: InChI=1S/C11H13ClO6S/c1-17-5-2-6-18-10-4-3-8(19(12,15)16)7-9(10)11(13)14/h3-4,7H,2,5-6H2,1H3,(H,13,14)

Composition: C (42.80%), H (4.24%), Cl (11.48%), O (31.09%), S (10.38%)

Molar Mass: 308.73

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 308.012137
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 1
InChIKey FIPWZPRCXYCXPK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.88
Topological Polar Surface Area 89.9
Polarizability 27.64
Ring Count 1
Rotatable Bond Count 7

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C11H13ClO6S Quote Only