Basic information
- CAS
90390-39-9- Standard SMILES
CCNCc1cc(Cl)cc([N+](=O)[O-])c1- InChIKey
MARLMDUKNXOVCF-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O2
- Average molar mass
- 214.65 g/mol
- Monoisotopic mass
- 214.0509053
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-chloro-N-ethyl-5-nitro-
- IUPAC
- N-[(3-chloro-5-nitrophenyl)methyl]ethanamine
Names & synonyms
Benzenemethanamine, 3-chloro-N-ethyl-5-nitro-90390-39-9N-[(3-chloro-5-nitrophenyl)methyl]ethanamineCHEMBL1626823DTXSID90238158N-[(3-chloro-5-nitro-phenyl)methyl]ethanamine
Database identifiers
- CAS
90390-39-9- PubChem CID
- 457622
- DTXSID
DTXSID90238158- ChEMBL
CHEMBL1626823
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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