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7-fluoro-1,3-benzothiazole-2-carboxylic acid

7-fluoro-1,3-benzothiazole-2-carboxylic acid

CAS: 479028-68-7

Formula: C8H4FNO2S

SMILES: OC(=O)C1=NC2=CC=CC(F)=C2S1

IUPAC: 7-fluoro-1,3-benzothiazole-2-carboxylic acid

InChI: InChI=1S/C8H4FNO2S/c9-4-2-1-3-5-6(4)13-7(10-5)8(11)12/h1-3H,(H,11,12)

Composition: C (48.73%), H (2.04%), F (9.63%), N (7.10%), O (16.23%), S (16.26%)

Molar Mass: 197.18

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 196.99467771
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UFJHEWFHXPBNRI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.08
Topological Polar Surface Area 50.19
Polarizability 17.75
Ring Count 2
Rotatable Bond Count 1

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