o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)BIS(4-CHLORO-
Basic information
- CAS
73791-22-7- Standard SMILES
Oc1ccc(Cl)cc1CN=CCCCCC=NCc1cc(Cl)ccc1O- InChIKey
LEKUSVLMQYEXEG-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2N2O2
- Average molar mass
- 393.3 g/mol
- Monoisotopic mass
- 392.1058333
Names & identifiers
- Preferred name
- o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)BIS(4-CHLORO-
- IUPAC
- 4-chloro-2-[[6-[(5-chloro-2-hydroxyphenyl)methylimino]hexylideneamino]methyl]phenol
Names & synonyms
NSC 91313BRN 3448161alpha,alpha'-(Hexamethylenedinitrilo)bis(4-chloro-o-cresol)o-CRESOL, alpha,alpha'-(HEXAMETHYLENEDINITRILO)BIS(4-CHLORO-Phenol, 2,2'-(1,6-hexanediylbis(nitrilomethylidyne))bis(4-chloro-4-08-00-00225 (Beilstein Handbook Reference)
Database identifiers
- CAS
73791-22-7- PubChem CID
- 52486
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 65.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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