4-Methylcarbamoylmethyl-2-nitroaniline
Basic information
- CAS
104126-71-8- Standard SMILES
CNC(=O)Cc1ccc(N)c([N+](=O)[O-])c1- InChIKey
NOBSUGQWBCCWJH-UHFFFAOYSA-N- Molecular formula
- C9H11N3O3
- Average molar mass
- 209.2 g/mol
- Monoisotopic mass
- 209.08004121
Names & identifiers
- Preferred name
- 4-Methylcarbamoylmethyl-2-nitroaniline
- IUPAC
- 2-(4-amino-3-nitrophenyl)-N-methylacetamide
Names & synonyms
4-methylcarbamoylmethyl-2-nitroanilineSCHEMBL10665226NOBSUGQWBCCWJH-UHFFFAOYSA-NDTXSID701274924104126-71-84-Amino-N-methyl-3-nitrobenzeneacetamide2-(4-amino-3-nitrophenyl)-N-methylacetamide
Database identifiers
- CAS
104126-71-8- PubChem CID
- 21294572
- DTXSID
DTXSID701274924
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 251
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Related reactions
2 records
Compound notes
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