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5-chlorothiophene-2-carboxylic acid

5-chlorothiophene-2-carboxylic acid

CAS: 24065-33-6

Formula: C5H3ClO2S

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

IUPAC: 5-chlorothiophene-2-carboxylic acid

InChI: InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)

Composition: C (36.94%), H (1.86%), Cl (21.80%), O (19.68%), S (19.72%)

Molar Mass: 162.59

Atom Count: 12

Heavy Atom Count: 9

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 161.9542282
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QZLSBOVWPHXCLT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 34.17
Topological Polar Surface Area 37.3
Polarizability 13.45
Ring Count 1
Rotatable Bond Count 1

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