Basic information
- CAS
685099-78-9- Standard SMILES
CCCCCCCCCCCCCC(=O)NC(Nc1ccc(OC)cc1[N+](=O)[O-])C(Cl)(Cl)Cl- InChIKey
NIIHSGVLRSFDCP-UHFFFAOYSA-N- Molecular formula
- C23H36Cl3N3O4
- Average molar mass
- 524.9 g/mol
- Monoisotopic mass
- 523.17714
Names & identifiers
- Preferred name
- Tetradecanoic acid (2,2,2-trichloro-1-(4-meo-2-nitro-phenylamino)-ethyl)-amide
- IUPAC
- N-[2,2,2-trichloro-1-(4-methoxy-2-nitroanilino)ethyl]tetradecanamide
- English name
- Tetradecanoic acid (2,2,2-trichloro-1-(4-MeO-2-nitro-phenylamino)-ethyl)-amide
- Molecular weight
- 0
Names & synonyms
AKOS024422098TETRADECANOIC ACID (2,2,2-TRICHLORO-1-(4-MEO-2-NITRO-PHENYLAMINO)-ETHYL)-AMIDE
Database identifiers
- CAS
685099-78-9- PubChem CID
- 4598546
- EC Number
- 164-452-1
Properties
Computed structural properties
- XLogP
- 9.8
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 558
Chemistry & industry
Suppliers2 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
SIGMA ALDRICH IRELAND LTD[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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