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1,2,3-benzothiadiazole-5-carbonyl chloride

1,2,3-benzothiadiazole-5-carbonyl chloride

CAS: 321309-32-4

Formula: C7H3ClN2OS

SMILES: ClC(=O)C1=CC=C2SN=NC2=C1

IUPAC: 1,2,3-benzothiadiazole-5-carbonyl chloride

InChI: InChI=1S/C7H3ClN2OS/c8-7(11)4-1-2-6-5(3-4)9-10-12-6/h1-3H

Composition: C (42.33%), H (1.52%), Cl (17.85%), N (14.10%), O (8.05%), S (16.14%)

Molar Mass: 198.62

Atom Count: 15

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 197.9654616
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey VOSTUOLSYXVSND-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.33
Topological Polar Surface Area 42.85
Polarizability 18.58
Ring Count 2
Rotatable Bond Count 1

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95% <2 Days 321309-32-4 $51.35-$86.31$51.35$63.37$86.31
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