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7-chloro-3-(²H?)methyl-4H-1??,2,4-benzothiadiazine-1,1-dione

7-chloro-3-(²H?)methyl-4H-1??,2,4-benzothiadiazine-1,1-dione

CAS: 1432063-51-8

Formula: C8H7ClN2O2S

SMILES: [2H]C([2H])([2H])C1=NS(=O)(=O)C2=C(N1)C=CC(Cl)=C2

IUPAC: 7-chloro-3-(²H?)methyl-4H-1??,2,4-benzothiadiazine-1,1-dione

InChI: InChI=1S/C8H7ClN2O2S/c1-5-10-7-3-2-6(9)4-8(7)14(12,13)11-5/h2-4H,1H3,(H,10,11)/i1D3

Composition: C (41.12%), H (1.73%), [2H] (2.59%), Cl (15.17%), N (11.99%), O (13.69%), S (13.72%)

Molar Mass: 233.68

Atom Count: 21

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 233.0105066
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GDLBFKVLRPITMI-FIBGUPNXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.84
Topological Polar Surface Area 58.53
Polarizability 21.24
Ring Count 2
Rotatable Bond Count 0

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97% <14 Days 1432063-51-8 $156.06-$1,221.96$156.06$1,221.96
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