Basic information
- CAS
89845-62-5- Standard SMILES
CC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1- InChIKey
CTKGVJQTGJYRAF-UHFFFAOYSA-N- Molecular formula
- C14H11ClN2O4
- Average molar mass
- 306.7 g/mol
- Monoisotopic mass
- 306.0407345
Names & identifiers
- Preferred name
- N-[4-(2-chloro-4-nitrophenoxy)phenyl]acetamide
- IUPAC
- N-[4-(2-chloro-4-nitrophenoxy)phenyl]acetamide
Names & synonyms
N-[4-(2-chloro-4-nitrophenoxy)phenyl]acetamide89845-62-5Acetamide, N-[4-(2-chloro-4-nitrophenoxy)phenyl]-N-(4-{2-chloro-4-nitrophenoxy}phenyl)acetamideOprea1_501921MLS000625167CHEMBL1588910DTXSID20352154HMS2649D03STK366907AKOS000909548SMR000293961
Show more names
ST011965AE-848/33223035SR-01000275025SR-01000275025-1
Database identifiers
- CAS
89845-62-5- PubChem CID
- 720227
- DTXSID
DTXSID20352154- ChEMBL
CHEMBL1588910
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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