Trinitrocresolate
Basic information
- CAS
28905-71-7- Standard SMILES
Cc1cc(O)c([N+](=O)[O-])c([N+](=O)[O-])c1[N+](=O)[O-]- InChIKey
VIGWOECDNBSOGQ-UHFFFAOYSA-N- Molecular formula
- C7H5N3O7
- Average molar mass
- 243.13 g/mol
- Monoisotopic mass
- 243.01274951
Names & identifiers
- Preferred name
- Trinitrocresolate
- IUPAC
- 5-methyl-2,3,4-trinitrophenol
- English name
- 5-methyl-2,3,4-trinitro-phenol
- Molecular formula
- C7H5N3O7
- Molecular weight
- 0
Names & synonyms
Trinitrocresolate28905-71-7MethyltrinitrophenolDTXSID00183105RefChem:191839DTXCID701055965-methyl-2,3,4-trinitrophenol5-methyl-2,3,4-trinitro-phenol
Database identifiers
- CAS
28905-71-7- PubChem CID
- 193643
- DTXSID
DTXSID00183105
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 158 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 343
Physicochemical properties
- Melting point
- 101.2 °C · 101.2 °C
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Related reactions
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Compound notes
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