Basic information
- CAS
6328-95-6- Standard SMILES
CC(C)(COC(=O)Nc1ccccc1)[N+](=O)[O-]- InChIKey
ILAKSNMRPQGCEK-UHFFFAOYSA-N- Molecular formula
- C11H14N2O4
- Average molar mass
- 238.24 g/mol
- Monoisotopic mass
- 238.09535693
Names & identifiers
- Preferred name
- 2-Methyl-2-nitropropyl phenylcarbamate
- IUPAC
- (2-methyl-2-nitropropyl) N-phenylcarbamate
Names & synonyms
6328-95-6NSC 440222-methyl-2-nitropropyl phenylcarbamateNSC44022DTXSID40286169NSC-440221-Propanol, 2-methyl-2-nitro-,carbanilate(2-methyl-2-nitro-propyl) N-phenylcarbamate
Database identifiers
- CAS
6328-95-6- PubChem CID
- 239185
- DTXSID
DTXSID40286169
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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