Basic information
- CAS
35727-87-8- Standard SMILES
N#Cc1c(Cl)c(C#N)c(Nc2ccccc2O)c(C#N)c1Cl- InChIKey
KFCLBFAIFGVARZ-UHFFFAOYSA-N- Molecular formula
- C15H6Cl2N4O
- Average molar mass
- 329.1 g/mol
- Monoisotopic mass
- 327.9918662
Names & identifiers
- Preferred name
- 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(o-hydroxyanilino)-
- IUPAC
- 2,4-dichloro-6-(2-hydroxyanilino)benzene-1,3,5-tricarbonitrile
- English name
- 2,4-Dichloro-6-[(2-hydroxyphenyl)amino]-1,3,5-benzenetricarbonitrile
- Molecular weight
- 0
Names & synonyms
4,6-Dichloro-2-(o-hydroxyanilino)trimesonitrile35727-87-81,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(o-hydroxyanilino)-4,6-Dichloro-2-(o-hydroxyanilino)-1,3,5-benzenetricarbonitrileDTXSID40189262RefChem:217157DTXCID701117532,4-dichloro-6-(2-hydroxyanilino)benzene-1,3,5-tricarbonitrileCHEMBL32481722,4-Dichloro-6-[(2-hydroxyphenyl)amino]-1,3,5-benzenetricarbonitrile
Database identifiers
- CAS
35727-87-8- PubChem CID
- 215467
- DTXSID
DTXSID40189262- ChEMBL
CHEMBL3248172- Nikkaji
- J41.328C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 526
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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