Medinoterb
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Basic information
- CAS
3996-59-6- Standard SMILES
Cc1c([N+](=O)[O-])cc(C(C)(C)C)c(O)c1[N+](=O)[O-]- InChIKey
LJGZUMNXGLDTFF-UHFFFAOYSA-N- Molecular formula
- C11H14N2O5
- Average molar mass
- 254.24 g/mol
- Monoisotopic mass
- 254.09027155
Names & identifiers
- Preferred name
- Medinoterb
- IUPAC
- 6-tert-butyl-3-methyl-2,4-dinitrophenol
- English name
- MEDINOTERB
- Molecular formula
- C11H14N2O5
- Molecular weight
- 254.24
Names & synonyms
MEDINOTERB6-tert-Butyl-3-methyl-2,4-dinitrophenol3996-59-6Caswell No. 128BBMedinoterb [ISO:BSI]UNII-T26271K2NKT26271K2NKMEDINOTERB [ISO]2-tert-Butyl-4,6-dinitro-m-cresol6-tert-butyl-2,4-dinitro-m-cresolEPA Pesticide Chemical Code 228300NSC 191803
Show more names
2.6-dinitro-3-hydroxy-1-methyl-4-tert-butyl-benzene
NSC-191803AI3-19045DTXSID0042119Phenol, 6-(1,1-dimethylethyl)-3-methyl-2,4-dinitro-6-(1,1-DIMETHYLETHYL)-3-METHYL-2,4-DINITROPHENOLRefChem:156235DTXCID8022119NSC191803
Database identifiers
- CAS
3996-59-6- PubChem CID
- 19898
- DTXSID
DTXSID0042119- UNII
- T26271K2NK
- Nikkaji
- J8.287B
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 341
Physicochemical properties
- FDA UNII
- 26271 K2NK · T26271K2NK
- EPA Substance Registry System
- Medinoterb (3996-59-6)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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