4-(3-Nitrophenyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
Basic information
- CAS
30369-18-7- Standard SMILES
Nc1nc(-c2cccc([N+](=O)[O-])c2)nc(C(Cl)(Cl)Cl)n1- InChIKey
BMOJCFQQHZGRNN-UHFFFAOYSA-N- Molecular formula
- C10H6Cl3N5O2
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 332.958708
Names & identifiers
- Preferred name
- 4-(3-Nitrophenyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
- IUPAC
- 4-(3-nitrophenyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
Names & synonyms
4-(3-nitrophenyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine30369-18-7DTXSID10275262
Database identifiers
- CAS
30369-18-7- PubChem CID
- 35244
- DTXSID
DTXSID10275262- Nikkaji
- J1.614.190I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 362
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Compound notes
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