Basic information
- CAS
35728-01-9- Standard SMILES
N#Cc1c(Cl)c(C#N)c(Nc2cccc(F)c2)c(C#N)c1Cl- InChIKey
ASURHLVWMBKSSP-UHFFFAOYSA-N- Molecular formula
- C15H5Cl2FN4
- Average molar mass
- 331.1 g/mol
- Monoisotopic mass
- 329.9875297
Names & identifiers
- Preferred name
- 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)-
- IUPAC
- 2,4-dichloro-6-(3-fluoroanilino)benzene-1,3,5-tricarbonitrile
- English name
- 2,4-Dichloro-6-[(3-fluorophenyl)amino]-1,3,5-benzenetricarbonitrile
- Molecular weight
- 0
Names & synonyms
35728-01-9BRN 27803211,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(m-fluoroanilino)-4,6-Dichloro-2-(m-fluoroanilino)trimesonitrile4,6-Dichloro-2-(m-fluoroanilino)-1,3,5-benzenetricarbonitrileDTXSID00189268RefChem:217155DTXCID301117592,4-dichloro-6-[(3-fluorophenyl)amino]benzene-1,3,5-tricarbonitrile2,4-dichloro-6-(3-fluoroanilino)benzene-1,3,5-tricarbonitrileCHEMBL32481742,4-Dichloro-6-[(3-fluorophenyl)amino]-1,3,5-benzenetricarbonitrile
Database identifiers
- CAS
35728-01-9- PubChem CID
- 215475
- DTXSID
DTXSID00189268- ChEMBL
CHEMBL3248174- Nikkaji
- J41.329A
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 526
Chemistry & industry
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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