Basic information
- CAS
73791-22-7- Standard SMILES
Oc1ccc(Cl)cc1C=NCCCCCCN=Cc1cc(Cl)ccc1O- InChIKey
MJEDAFLTUJSUIS-UHFFFAOYSA-N- Molecular formula
- C20H22Cl2N2O2
- Average molar mass
- 393.3 g/mol
- Monoisotopic mass
- 392.1058333
Names & identifiers
- Preferred name
- alpha,alpha'-(Hexamethylenedinitrilo)bis(4-chloro-o-cresol)
- IUPAC
- 4-chloro-2-[6-[(5-chloro-2-hydroxyphenyl)methylideneamino]hexyliminomethyl]phenol
Names & synonyms
NSC91313NCIOpen2_009875CHEMBL245274NSC-91313o-Cresol,.alpha.'-(hexamethylenedinitrilo)bis(4-chloro-.alpha.,.alpha.'-(Hexamethylenedinitrilo)bis(4-chloro-o-cresol)Phenol,2'-[1,6-hexanediylbis(nitrilomethylidyne)]bis[4-chloro-
Database identifiers
- CAS
73791-22-7- PubChem CID
- 260232
- ChEMBL
CHEMBL245274- Nikkaji
- J67.715I
Properties
Computed structural properties
- XLogP
- 4.7
- 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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