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4-chloro-3-[(furan-2-ylmethyl)sulfamoyl]benzoic acid

4-chloro-3-[(furan-2-ylmethyl)sulfamoyl]benzoic acid

Formula: C12H10ClNO5S

SMILES: OC(=O)C1=CC(=C(Cl)C=C1)S(=O)(=O)NCC1=CC=CO1

IUPAC: 4-chloro-3-{[(furan-2-yl)methyl]sulfamoyl}benzoic acid

InChI: InChI=1S/C12H10ClNO5S/c13-10-4-3-8(12(15)16)6-11(10)20(17,18)14-7-9-2-1-5-19-9/h1-6,14H,7H2,(H,15,16)

Composition: C (45.65%), H (3.19%), Cl (11.23%), N (4.44%), O (25.34%), S (10.15%)

Molar Mass: 315.72

Atom Count: 30

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 314.9968213
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey OLEJMFOGDZWTFM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 72.18
Topological Polar Surface Area 96.61
Polarizability 28.33
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula UnitPrice
98% <10 Days C12H10ClNO5S Quote Only