Basic information
- CAS
18515-15-6- Standard SMILES
Cc1cc(CCl)cc(C)c1[N+](=O)[O-]- InChIKey
OEAGEFYMYDBWDX-UHFFFAOYSA-N- Molecular formula
- C9H10ClNO2
- Average molar mass
- 199.63 g/mol
- Monoisotopic mass
- 199.0400063
Names & identifiers
- Preferred name
- CID 15212007
- IUPAC
- 5-(chloromethyl)-1,3-dimethyl-2-nitrobenzene
Names & synonyms
18515-15-6DTXSID2012555515-(Chloromethyl)-1,3-dimethyl-2-nitrobenzene
Database identifiers
- CAS
18515-15-6- PubChem CID
- 15212007
- DTXSID
DTXSID201255551
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 181
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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