3-[(4-Methylanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one
Basic information
- CAS
50708-84-4- Standard SMILES
Cc1ccc(NCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1- InChIKey
MDPYIHQKXJKTNB-UHFFFAOYSA-N- Molecular formula
- C15H13N3O4
- Average molar mass
- 299.28 g/mol
- Monoisotopic mass
- 299.0906059
Names & identifiers
- Preferred name
- 3-[(4-Methylanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one
- IUPAC
- 3-[(4-methylanilino)methyl]-6-nitro-1,3-benzoxazol-2-one
Names & synonyms
50708-84-4DTXSID307898313-[(4-Methylanilino)methyl]-6-nitro-1,3-benzoxazol-2(3H)-one
Database identifiers
- CAS
50708-84-4- PubChem CID
- 71366471
- DTXSID
DTXSID30789831
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 87.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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