Basic information
- CAS
30804-94-5- Standard SMILES
Cc1nc(NC(=O)Nc2cccc(Cl)c2)nc(C(Cl)(Cl)Cl)n1- InChIKey
AWEWQOAAGOHXOM-UHFFFAOYSA-N- Molecular formula
- C12H9Cl4N5O
- Average molar mass
- 381 g/mol
- Monoisotopic mass
- 378.956121
Names & identifiers
- Preferred name
- 1-(3-Chlorophenyl)-3-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]urea
- IUPAC
- 1-(3-chlorophenyl)-3-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]urea
Names & synonyms
1-(3-chlorophenyl)-3-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]urea30804-94-5DTXSID10275303N-(3-Chlorophenyl)-N'-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]urea
Database identifiers
- CAS
30804-94-5- PubChem CID
- 35486
- DTXSID
DTXSID10275303- Nikkaji
- J1.614.846F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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