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4,6-dichloro-1,3-benzothiazole-2-carboxylic acid

4,6-dichloro-1,3-benzothiazole-2-carboxylic acid

Formula: C8H3Cl2NO2S

SMILES: OC(=O)C1=NC2=C(Cl)C=C(Cl)C=C2S1

IUPAC: 4,6-dichloro-1,3-benzothiazole-2-carboxylic acid

InChI: InChI=1S/C8H3Cl2NO2S/c9-3-1-4(10)6-5(2-3)14-7(11-6)8(12)13/h1-2H,(H,12,13)

Composition: C (38.73%), H (1.22%), Cl (28.58%), N (5.65%), O (12.90%), S (12.92%)

Molar Mass: 248.08

Atom Count: 17

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 246.9261549
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey NNPHKGUOPJTZMW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.47
Topological Polar Surface Area 50.19
Polarizability 21.89
Ring Count 2
Rotatable Bond Count 1

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Struchem co.,ltd
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Purity LeadTime Formula PacketSize UnitPrice
95% <5 Days C8H3Cl2NO2S $1,300.00-$2,200.00$1,300.00$1,460.00$2,200.00
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