5-Nitro-1,2-benzothiazol-3(2H)-one

Base Information

• Chemical Name: 5-Nitro-1,2-benzothiazol-3(2H)-one
• CAS No.: 4337-52-4
• Molecular Formula: C7H4N2O3S
• DSSTox Substance ID: DTXSID20525866
• Wikidata: Q82393812
• Mol file: 4337-52-4.mol

Synonyms:4337-52-4;5-Nitrobenzo[d]isothiazol-3(2H)-one;5-Nitro-1,2-benzothiazol-3(2H)-one;SCHEMBL5591612;DTXSID20525866;QZFIGQFIRSBAFE-UHFFFAOYSA-N;MFCD28671029;5-nitro-l,2-benzisothiazol-3(2H)-one;5-Nitro-1,2-benzisothiazol-3(2H)-one;SY300458;5-nitro-2,3-dihydro-1,2-benzothiazol-3-one;EN300-25617100

Chemical Property of 5-Nitro-1,2-benzothiazol-3(2H)-one

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 195.99426317
• Heavy Atom Count: 13
• Complexity: 253

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1[N+](=O)[O-])C(=O)NS2