Basic information
- CAS
24310-43-8- Standard SMILES
O=c1c2cc([N+](=O)[O-])ccc2nnn1CCl- InChIKey
KNNURMYVQZKOGN-UHFFFAOYSA-N- Molecular formula
- C8H5ClN4O3
- Average molar mass
- 240.6 g/mol
- Monoisotopic mass
- 240.0050177
Names & identifiers
- Preferred name
- 3-(Chloromethyl)-6-nitro-1,2,3-benzotriazin-4-one
- IUPAC
- 3-(chloromethyl)-6-nitro-1,2,3-benzotriazin-4-one
- English name
- 3-Chloromethyl-6-nitro-1,2,3-benzotriazin-4(3H)-one
- Molecular formula
- C8H5ClN4O3
- Molecular weight
- 240.6
Names & synonyms
24310-43-83-(chloromethyl)-6-nitro-1,2,3-benzotriazin-4-oneDTXSID90346080RefChem:275299DTXCID802971533-Chloromethyl-6-nitro-1,2,3-benzotriazin-4(3H)-one3-(Chloromethyl)-6-nitro-1,2,3-benzotriazin-4(3H)-oneKNNURMYVQZKOGN-UHFFFAOYSA-N1,2,3-Benzotriazin-4(3H)-one, 3-(chloromethyl)-6-nitro-3-(Chloromethyl)-6-nitro-1,2,3-benzotriazin-4(3H)-one #
Database identifiers
- CAS
24310-43-8- PubChem CID
- 609489
- DTXSID
DTXSID90346080- Nikkaji
- J103.013B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…