Basic information
- CAS
4446-76-8- Standard SMILES
C=CCNc1nc(Cl)nc(OC)n1- InChIKey
PAVRKDSOWUZWHF-UHFFFAOYSA-N- Molecular formula
- C7H9ClN4O
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.0464886
Names & identifiers
- Preferred name
- 4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
- IUPAC
- 4-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
Names & synonyms
4446-76-84-chloro-6-methoxy-N-prop-2-enyl-1,3,5-triazin-2-amineDTXSID502746734-chloro-6-methoxy-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amineAKOS012154673
Database identifiers
- CAS
4446-76-8- PubChem CID
- 20516
- DTXSID
DTXSID50274673- Nikkaji
- J1.554.106G
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 59.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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