Basic information
- CAS
868254-88-0- Standard SMILES
COC(=O)c1ccc(C2=NNc3cc(Cl)c(Cl)cc3N2O)cc1- InChIKey
GMPGUWOHDPZWAO-UHFFFAOYSA-N- Molecular formula
- C15H11Cl2N3O3
- Average molar mass
- 352.2 g/mol
- Monoisotopic mass
- 351.0177466
Names & identifiers
- Preferred name
- Methyl 4-(6,7-dichloro-4-hydroxy-1,4-dihydro-1,2,4-benzotriazin-3-YL)benzoate
- IUPAC
- methyl 4-(6,7-dichloro-4-hydroxy-1H-1,2,4-benzotriazin-3-yl)benzoate
Names & synonyms
AKOS024413133METHYL 4-(6,7-DICHLORO-4-HYDROXY-1,4-DIHYDRO-1,2,4-BENZOTRIAZIN-3-YL)BENZOATE
Database identifiers
- CAS
868254-88-0- PubChem CID
- 5014201
- EC Number
- 135-255-8
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 74.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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