Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester
Basic information
- CAS
67205-64-5- Standard SMILES
N#Cc1c(Cl)c(Cl)c(OC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1Cl- InChIKey
FZIIABXWUWNPBC-UHFFFAOYSA-N- Molecular formula
- C14H3Cl6NO2
- Average molar mass
- 429.9 g/mol
- Monoisotopic mass
- 426.829495
Names & identifiers
- Preferred name
- Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester
- IUPAC
- (2,3,5,6-tetrachloro-4-cyanophenyl) 3,4-dichlorobenzoate
Names & synonyms
BRN 260555067205-64-5Benzoic acid, 3,4-dichloro-, 4-cyano-2,3,5,6-tetrachlorophenyl ester4-Cyano-2,3,5,6-tetrachlorophenyl 3,4-dichlorobenzoateDTXSID40217514NSC 316469RefChem:327016DTXCID901400052,3,5,6-tetrachloro-4-cyanophenyl 3,4-dichlorobenzoateNSC316469CHEMBL3248199NSC-316469
Database identifiers
- CAS
67205-64-5- PubChem CID
- 100541
- DTXSID
DTXSID40217514- ChEMBL
CHEMBL3248199
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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