5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid

5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid

CAS: 861226-90-6

Formula: C13H11ClO2S

SMILES: CCC1=C(SC(=C1)C(O)=O)C1=CC=C(Cl)C=C1

IUPAC: 5-(4-chlorophenyl)-4-ethylthiophene-2-carboxylic acid

InChI: InChI=1S/C13H11ClO2S/c1-2-8-7-11(13(15)16)17-12(8)9-3-5-10(14)6-4-9/h3-7H,2H2,1H3,(H,15,16)

Composition: C (58.54%), H (4.16%), Cl (13.29%), O (12.00%), S (12.02%)

Molar Mass: 266.74

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	266.0168285
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LMPWZOKTUAGCHE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.57
Topological Polar Surface Area	37.3
Polarizability	27.74
Ring Count	2
Rotatable Bond Count	3

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