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6-chloro-1,2??,3-benzoxathiazine-2,2-dione

6-chloro-1,2??,3-benzoxathiazine-2,2-dione

CAS: 78224-92-7

Formula: C7H4ClNO3S

SMILES: ClC1=CC=C2OS(=O)(=O)N=CC2=C1

IUPAC: 6-chloro-1,2??,3-benzoxathiazine-2,2-dione

InChI: InChI=1S/C7H4ClNO3S/c8-6-1-2-7-5(3-6)4-9-13(10,11)12-7/h1-4H

Composition: C (38.63%), H (1.85%), Cl (16.29%), N (6.44%), O (22.06%), S (14.73%)

Molar Mass: 217.62

Atom Count: 17

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 216.9600419
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey FSJOTWFQOBRYKY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.91
Topological Polar Surface Area 55.73
Polarizability 19.02
Ring Count 2
Rotatable Bond Count 0

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