Basic information
- CAS
89210-31-1- Standard SMILES
Cc1cc([N+](=O)[O-])cc(C)c1CBr- InChIKey
WKMKJIXIVRQQRU-UHFFFAOYSA-N- Molecular formula
- C9H10BrNO2
- Average molar mass
- 244.08 g/mol
- Monoisotopic mass
- 242.98949
Names & identifiers
- Preferred name
- 2-(Bromomethyl)-1,3-dimethyl-5-nitrobenzene
- IUPAC
- 2-(bromomethyl)-1,3-dimethyl-5-nitrobenzene
Names & synonyms
2-(Bromomethyl)-1,3-dimethyl-5-nitrobenzene89210-31-1Benzene, 2-(bromomethyl)-1,3-dimethyl-5-nitro-DTXSID90752384MFCD28795226H83923
Database identifiers
- CAS
89210-31-1- PubChem CID
- 71322733
- DTXSID
DTXSID90752384
Properties
Computed structural properties
- XLogP
- 3
- 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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