Basic information
- CAS
6971-77-3- Standard SMILES
CC(C)(C)c1c([N+](=O)[O-])cc([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]- InChIKey
MPUMCCYZSQBTQW-UHFFFAOYSA-N- Molecular formula
- C10H10ClN3O6
- Average molar mass
- 303.65 g/mol
- Monoisotopic mass
- 303.0258127
Names & identifiers
- Preferred name
- 2-Tert-butyl-4-chloro-1,3,5-trinitrobenzene
- IUPAC
- 2-tert-butyl-4-chloro-1,3,5-trinitrobenzene
Names & synonyms
6971-77-32-tert-butyl-4-chloro-1,3,5-trinitrobenzeneNSC67185NCIOpen2_008585Benzene,2-chloro-4-(1,1-dimethylethyl)-1,3,5-trinitro-DTXSID50290171NSC-67185DS-010041
Database identifiers
- CAS
6971-77-3- PubChem CID
- 249162
- DTXSID
DTXSID50290171
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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