Basic information
- CAS
7462-19-3- Standard SMILES
Cc1cc(Cl)ccc1OCC(=O)OCC(C)(C)[N+](=O)[O-]- InChIKey
MHHLTHOYSAOKGR-UHFFFAOYSA-N- Molecular formula
- C13H16ClNO5
- Average molar mass
- 301.72 g/mol
- Monoisotopic mass
- 301.0717003
Names & identifiers
- Preferred name
- 2-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetate
- IUPAC
- (2-methyl-2-nitropropyl) 2-(4-chloro-2-methylphenoxy)acetate
Names & synonyms
7462-19-3NSC 404174NSC4041742-Methyl-2-nitropropyl (4-chloro-2-methylphenoxy)acetateDTXSID70323516NSC-404174
Database identifiers
- CAS
7462-19-3- PubChem CID
- 346124
- DTXSID
DTXSID70323516
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 355
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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