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5-chloro-4-methoxythiophene-3-carboxylic acid

5-chloro-4-methoxythiophene-3-carboxylic acid

CAS: 133659-14-0

Formula: C6H5ClO3S

SMILES: COC1=C(Cl)SC=C1C(O)=O

IUPAC: 5-chloro-4-methoxythiophene-3-carboxylic acid

InChI: InChI=1S/C6H5ClO3S/c1-10-4-3(6(8)9)2-11-5(4)7/h2H,1H3,(H,8,9)

Composition: C (37.41%), H (2.62%), Cl (18.40%), O (24.92%), S (16.64%)

Molar Mass: 192.61

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 191.9647929
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey CEOFOUVVEMMYDW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.85
Topological Polar Surface Area 46.53
Polarizability 16.01
Ring Count 1
Rotatable Bond Count 2

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