Basic information
- CAS
16088-72-5- Standard SMILES
Nc1nc(N)nc(C(Br)(Br)Br)n1- InChIKey
VJDJBZVESKUFKB-UHFFFAOYSA-N- Molecular formula
- C4H4Br3N5
- Average molar mass
- 361.82 g/mol
- Monoisotopic mass
- 358.80168
Names & identifiers
- Preferred name
- 6-(Tribromomethyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 6-(tribromomethyl)-1,3,5-triazine-2,4-diamine
Names & synonyms
6-(tribromomethyl)-1,3,5-triazine-2,4-diamine16088-72-5SCHEMBL11146368DTXSID10274831
Database identifiers
- CAS
16088-72-5- PubChem CID
- 27675
- DTXSID
DTXSID10274831- Nikkaji
- J831.794A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 149
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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