Basic information
- CAS
90002-18-9- Standard SMILES
O=C(O)CNc1cc(Cl)c(Cl)cc1[N+](=O)[O-]- InChIKey
NYKSQKPORPOPKP-UHFFFAOYSA-N- Molecular formula
- C8H6Cl2N2O4
- Average molar mass
- 265.05 g/mol
- Monoisotopic mass
- 263.9704621
Names & identifiers
- Preferred name
- Glycine, N-(4,5-dichloro-2-nitrophenyl)-
- IUPAC
- 2-(4,5-dichloro-2-nitroanilino)acetic acid
Names & synonyms
N-(4,5-Dichloro-2-nitrophenyl)glycineGLYCINE, N-(4,5-DICHLORO-2-NITROPHENYL)-BRN 309874290002-18-9DTXSID60237991RefChem:346486DTXCID10160482NYKSQKPORPOPKP-UHFFFAOYSA-NAKOS018912978
Database identifiers
- CAS
90002-18-9- PubChem CID
- 56030
- DTXSID
DTXSID60237991- Nikkaji
- J156.673C
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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