2-[2-Chloro-4-(hydroxyimino)-5-methylcyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile
Basic information
- CAS
844-24-6- Standard SMILES
CC1=CC(=C(C#N)c2ccc(Cl)cc2)C(Cl)=CC1=NO- InChIKey
BYRQMRDYXFADRJ-UHFFFAOYSA-N- Molecular formula
- C15H10Cl2N2O
- Average molar mass
- 305.2 g/mol
- Monoisotopic mass
- 304.0170183
Names & identifiers
- Preferred name
- 2-[2-Chloro-4-(hydroxyimino)-5-methylcyclohexa-2,5-dien-1-ylidene]-2-(4-chlorophenyl)acetonitrile
- IUPAC
- 2-(2-chloro-4-hydroxyimino-5-methylcyclohexa-2,5-dien-1-ylidene)-2-(4-chlorophenyl)acetonitrile
Names & synonyms
844-24-62-[2-CHLORO-4-(HYDROXYIMINO)-5-METHYLCYCLOHEXA-2,5-DIEN-1-YLIDENE]-2-(4-CHLOROPHENYL)ACETONITRILEBenzeneacetonitrile,4-chloro-a-[2-chloro-4-(hydroxyimino)-5-methyl-2,5-cyclohexadien-1-ylidene]-SCHEMBL11767823DTXSID801118167MFCD30581193SY273295NS00042917[2-Chloro-4-(hydroxyimino)-5-methylcyclohexa-2,5-dien-1-ylidene](4-chlorophenyl)acetonitrile4-chloro-alpha-[2-chloro-4-(hydroxyimino)-5-methyl-2,5-cyclohexadien-1-ylidene]benzeneacetonitrile4-Chloro-I+/--[2-chloro-4-(hydroxyimino)-5-methyl-2,5-cyclohexadien-1-ylidene]benzeneacetonitrile
Database identifiers
- CAS
844-24-6- PubChem CID
- 70054
- DTXSID
DTXSID801118167- EC Number
- 212-678-7
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 56.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 570
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Related reactions
1 records
Compound notes
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