Basic information
- CAS
6307-78-4- Standard SMILES
Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Cl- InChIKey
ALFLTCILZQYZQW-UHFFFAOYSA-N- Molecular formula
- C9H8ClNO3
- Average molar mass
- 213.62 g/mol
- Monoisotopic mass
- 213.0192708
Names & identifiers
- Preferred name
- 2,6-Dimethyl-3-nitrobenzoyl chloride
- IUPAC
- 2,6-dimethyl-3-nitrobenzoyl chloride
Names & synonyms
6307-78-42,6-dimethyl-3-nitrobenzoyl chlorideNSC44279SCHEMBL29007688DTXSID80286224NSC-44279
Database identifiers
- CAS
6307-78-4- PubChem CID
- 239333
- DTXSID
DTXSID80286224
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…