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Basic information
- CAS
81117-74-0- Standard SMILES
Cn1c(=O)oc2cc([N+](=O)[O-])c(Cl)cc21- InChIKey
PCCVICGSNBYADF-UHFFFAOYSA-N- Molecular formula
- C8H5ClN2O4
- Average molar mass
- 228.59 g/mol
- Monoisotopic mass
- 227.9937843
Names & identifiers
- Preferred name
- 5-Chloro-3-methyl-6-nitrobenzo[d]oxazol-2(3H)-one
- IUPAC
- 5-chloro-3-methyl-6-nitro-1,3-benzoxazol-2-one
Names & synonyms
NSC35539981117-74-05-Chloro-3-methyl-6-nitrobenzo[d]oxazol-2(3H)-one5-chloro-3-methyl-6-nitro-1,3-benzoxazol-2(3H)-oneSCHEMBL14993422DTXSID90320163PCCVICGSNBYADF-UHFFFAOYSA-NNSC-355399
Database identifiers
- CAS
81117-74-0- PubChem CID
- 337463
- DTXSID
DTXSID90320163
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Related reactions
1 records
Compound notes
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