Basic information
- CAS
6313-39-9- Standard SMILES
COC(=O)c1ccc(NC(C)=O)c([N+](=O)[O-])c1- InChIKey
LOLJRBYFAVSFOA-UHFFFAOYSA-N- Molecular formula
- C10H10N2O5
- Average molar mass
- 238.2 g/mol
- Monoisotopic mass
- 238.05897142
Names & identifiers
- Preferred name
- Methyl 4-(acetylamino)-3-nitrobenzoate
- IUPAC
- methyl 4-acetamido-3-nitrobenzoate
Names & synonyms
methyl 4-acetamido-3-nitrobenzoatemethyl 4-(acetylamino)-3-nitrobenzoate6313-39-9NSC39870Oprea1_230639SCHEMBL9137225DTXSID60284925LOLJRBYFAVSFOA-UHFFFAOYSA-NNSC-39870HS-3484AE-562/12222372
Database identifiers
- CAS
6313-39-9- PubChem CID
- 236856
- DTXSID
DTXSID60284925
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 325
Related reactions
2 records
Compound notes
Loading…