1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, acetate
Basic information
- CAS
67205-34-9- Standard SMILES
CC(=O)Oc1c(Cl)c(Cl)c(C#N)c(Cl)c1C#N- InChIKey
DPNUOHPAOKOTDH-UHFFFAOYSA-N- Molecular formula
- C10H3Cl3N2O2
- Average molar mass
- 289.5 g/mol
- Monoisotopic mass
- 287.92601
Names & identifiers
- Preferred name
- 1,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, acetate
- IUPAC
- (2,3,5-trichloro-4,6-dicyanophenyl) acetate
- English name
- Acetic acid 2,4-dicyano-3,5,6-trichlorophenyl ester
- Molecular formula
- C10H3Cl3N2O2
- Molecular weight
- 289.5
Names & synonyms
67205-34-9BRN 26638071,3-Benzenedicarbonitrile, 4-hydroxy-2,5,6-trichloro-, acetate4-Hydroxy-2,5,6-trichloroisophthalonitrile, acetate1,3-Benzenedicarbonitrile, 4-acetoxy-2,5,6-trichloro-4-Hydroxy-2,5,6-trichloro-1,3-benzenedicarbonitrile, acetateDTXSID50217489NSC 316465RefChem:217737DTXCID00139980NSC3164652,3,5-TRICHLORO-4,6-DICYANOPHENYL ACETATE
Show more names
2,4-Dicyano-3,5,6-trichlorophenyl=acetateAcetic acid 2,4-dicyano-3,5,6-trichlorophenyl ester1,3-Benzenedicarbonitrile, 4-(acetyloxy)-2,5,6-trichloro-
CHEMBL32481541, 4-acetoxy-2,5,6-trichloro-WLN: NCR BG CG FG ECN DOV1NSC-3164651, 4-(acetyloxy)-2,5,6-trichloro-1, 4-hydroxy-2,5,6-trichloro-, acetate4-Hydroxy-2,6-trichloroisophthalonitrile, acetate4-Hydroxy-2,6-trichloro-1,3-benzenedicarbonitrile, acetate
Database identifiers
- CAS
67205-34-9- PubChem CID
- 100538
- DTXSID
DTXSID50217489- ChEMBL
CHEMBL3248154- Nikkaji
- J149.275F
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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