Basic information
- Standard SMILES
ClC(Cl)(Cl)c1nc(NCc2ccccc2)nc(C(Cl)(Cl)Cl)n1- InChIKey
CHMSFSXWSNVGPB-UHFFFAOYSA-N- Molecular formula
- C12H8Cl6N4
- Average molar mass
- 420.9 g/mol
- Monoisotopic mass
- 417.888012
Names & identifiers
- Preferred name
- 1,3,5-Triazin-2-amine, N-(phenylmethyl)-4,6-bis(trichloromethyl)-
- IUPAC
- N-benzyl-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine
Names & synonyms
N-benzyl-4,6-bis(trichloromethyl)-1,3,5-triazin-2-amine1,3,5-Triazin-2-amine, N-(phenylmethyl)-4,6-bis(trichloromethyl)-24803-16-52-(Benzylamino)-4,6-bis(trichloromethyl)-S-triazineSCHEMBL11814816DTXSID40179502CHMSFSXWSNVGPB-UHFFFAOYSA-N2-Benzylamino-4,6-bis-trichloromethyl-s-triazine
Database identifiers
- CAS
24803-16-5- PubChem CID
- 32644
- DTXSID
DTXSID40179502- Nikkaji
- J571.267J
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 331
Related reactions
2 records
Linked notes
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