trichlorothiophene-2-carboxylic acid

trichlorothiophene-2-carboxylic acid

CAS: 26020-48-4

Formula: C5HCl3O2S

SMILES: OC(=O)C1=C(Cl)C(Cl)=C(Cl)S1

IUPAC: trichlorothiophene-2-carboxylic acid

InChI: InChI=1S/C5HCl3O2S/c6-1-2(7)4(8)11-3(1)5(9)10/h(H,9,10)

Composition: C (25.94%), H (0.44%), Cl (45.95%), O (13.82%), S (13.85%)

Molar Mass: 231.47

Atom Count: 12

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	229.8762835
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	FVFYTPFJDMYLJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.78
Topological Polar Surface Area	37.3
Polarizability	17.53
Ring Count	1
Rotatable Bond Count	1

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