Basic information
- CAS
5804-36-4- Standard SMILES
CC(=O)NCc1cc([N+](=O)[O-])ccc1O- InChIKey
SKIMPHYSGGMGFO-UHFFFAOYSA-N- Molecular formula
- C9H10N2O4
- Average molar mass
- 210.19 g/mol
- Monoisotopic mass
- 210.0640568
Names & identifiers
- Preferred name
- 2-Acetamidomethyl-4-nitrophenol
- IUPAC
- N-[(2-hydroxy-5-nitrophenyl)methyl]acetamide
Names & synonyms
2-Acetamidomethyl-4-nitrophenol5804-36-4N-[(2-hydroxy-5-nitrophenyl)methyl]acetamideNSC343519SCHEMBL66074652-acetamidomethyl-4-nitro-phenol2-acetylaminomethyl-4-nitrophenolDTXSID40319289SKIMPHYSGGMGFO-UHFFFAOYSA-NNSC-343519DS-011806N-[(2-hydroxy-5-nitro-phenyl)methyl]acetamide
Database identifiers
- CAS
5804-36-4- PubChem CID
- 335140
- DTXSID
DTXSID40319289
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
Related reactions
2 records
Compound notes
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