Basic information
- CAS
115084-49-6- Standard SMILES
Nc1ccc(Cc2ccc([N+](=O)[O-])c(Cl)c2)cc1Cl- InChIKey
LWKNJSDFOFWBEF-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2N2O2
- Average molar mass
- 297.13 g/mol
- Monoisotopic mass
- 296.011933
Names & identifiers
- Preferred name
- 2-Chloro-4-((3-chloro-4-nitrophenyl)methyl)aniline
- IUPAC
- 2-chloro-4-[(3-chloro-4-nitrophenyl)methyl]aniline
Names & synonyms
115084-49-62-Chloro-4-((3-chloro-4-nitrophenyl)methyl)aniline2-chloro-4-[(3-chloro-4-nitrophenyl)methyl]anilineDTXSID00150953
Database identifiers
- CAS
115084-49-6- PubChem CID
- 189271
- DTXSID
DTXSID00150953
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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