N-(3-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
Basic information
- CAS
30356-61-7- Standard SMILES
Cc1cccc(Nc2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)c1- InChIKey
DRMDHJDIPRKJPW-UHFFFAOYSA-N- Molecular formula
- C12H8Cl6N4
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 417.888012
Names & identifiers
- Preferred name
- N-(3-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
- IUPAC
- N-(3-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
Names & synonyms
N-(3-methylphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine30356-61-7DTXSID40275139
Database identifiers
- CAS
30356-61-7- PubChem CID
- 34967
- DTXSID
DTXSID40275139- Nikkaji
- J1.612.746I
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 350
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