Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-
Basic information
- CAS
99902-87-1- Standard SMILES
N#Cc1cc(N)ccc1Oc1ccc(Cl)c(Cl)c1- InChIKey
QAHQCZWWPMJDRP-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2N2O
- Average molar mass
- 279.12 g/mol
- Monoisotopic mass
- 278.0013683
Names & identifiers
- Preferred name
- Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-
- IUPAC
- 5-amino-2-(3,4-dichlorophenoxy)benzonitrile
Names & synonyms
5-amino-2-(3,4-dichlorophenoxy)benzonitrile99902-87-1Benzonitrile, 5-amino-2-(3,4-dichlorophenoxy)-CHEMBL137287SCHEMBL28288101DTXSID80244329AKOS010549797
Database identifiers
- CAS
99902-87-1- PubChem CID
- 514869
- DTXSID
DTXSID80244329- ChEMBL
CHEMBL137287
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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