2-Nitro-4-(trichloroethenyl)aniline
Basic information
- CAS
63630-18-2- Standard SMILES
Nc1ccc(C(Cl)=C(Cl)Cl)cc1[N+](=O)[O-]- InChIKey
KVMJXBITHVSDBJ-UHFFFAOYSA-N- Molecular formula
- C8H5Cl3N2O2
- Average molar mass
- 267.5 g/mol
- Monoisotopic mass
- 265.94166
Names & identifiers
- Preferred name
- 2-Nitro-4-(trichloroethenyl)aniline
- IUPAC
- 2-nitro-4-(1,2,2-trichloroethenyl)aniline
Names & synonyms
63630-18-22-nitro-4-(1,2,2-trichloroethenyl)aniline2-Nitro-4-(trichloroethenyl)anilineNSC343642SCHEMBL11096702DTXSID40319300NSC-343642DS-0135102-Nitro-4-(1,2,2-trichloroethen-1-yl)aniline
Database identifiers
- CAS
63630-18-2- PubChem CID
- 335203
- DTXSID
DTXSID40319300
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 286
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Compound notes
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