5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)furan-2-carboxylic acid

5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)furan-2-carboxylic acid

CAS: 696648-20-1

Formula: C13H11ClO3S

SMILES: OC(=O)C1=CC=C(CSCC2=C(Cl)C=CC=C2)O1

IUPAC: 5-({[(2-chlorophenyl)methyl]sulfanyl}methyl)furan-2-carboxylic acid

InChI: InChI=1S/C13H11ClO3S/c14-11-4-2-1-3-9(11)7-18-8-10-5-6-12(17-10)13(15)16/h1-6H,7-8H2,(H,15,16)

Composition: C (55.23%), H (3.92%), Cl (12.54%), O (16.98%), S (11.34%)

Molar Mass: 282.74

Atom Count: 29

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	282.0117431
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DBHWZTZZHOQMIP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.7
Topological Polar Surface Area	50.44
Polarizability	27.77
Ring Count	2
Rotatable Bond Count	5

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