4-(4-Methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole

HCID 313614

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 53619-67-3
Standard SMILES: Cc1ccc(S(=O)c2ccc([N+](=O)[O-])c3nonc23)cc1
InChIKey: FRBRHPUZSWIODD-UHFFFAOYSA-N
Molecular formula: C13H9N3O4S
Average molar mass: 303.3 g/mol
Monoisotopic mass: 303.03137695

Names & identifiers

Preferred name: 4-(4-Methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole
IUPAC: 4-(4-methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazole

Names & synonyms

MLS003115156NSC22815053619-67-3CHEMBL1702248SMR0018307394-(4-methylphenyl)sulfinyl-7-nitro-2,1,3-benzoxadiazolecid_313614SCHEMBL22774415BDBM81278DTXSID50310565BDBM50235883NSC-228150

Show more names

4-nitro-7-(p-tolylsulfinyl)benzofurazan4-Nitro-7-(p-tolylsulfinyl)benzo[c][1,2,5]oxadiazole4-(4-Methylbenzene-1-sulfinyl)-7-nitro-2,1,3-benzoxadiazole

Database identifiers

CAS: 53619-67-3
PubChem CID: 313614
DTXSID: DTXSID50310565
ChEMBL: CHEMBL1702248

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 121 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 2
Heavy atoms: 21
Formal charge: 0
Complexity: 422

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…