Completing data — usually done within a minute
Basic information
- CAS
34915-66-7- Standard SMILES
O=C(O)Cc1c(Cl)ccc([N+](=O)[O-])c1Cl- InChIKey
RGKOJUSFWOWYKK-UHFFFAOYSA-N- Molecular formula
- C8H5Cl2NO4
- Average molar mass
- 250.03 g/mol
- Monoisotopic mass
- 248.959563
Names & identifiers
- Preferred name
- 2,6-Dichloro-3-nitrophenylacetic acid
- IUPAC
- 2-(2,6-dichloro-3-nitrophenyl)acetic acid
Names & synonyms
2,6-dichloro-3-nitrophenylacetic acidSCHEMBL5042301SCHEMBL31514206RGKOJUSFWOWYKK-UHFFFAOYSA-NDTXSID8013400332,6-Dichloro-3-nitrobenzeneacetic acid34915-66-7(2,6-dichloro-3-nitro-phenyl)-acetic acid
Database identifiers
- CAS
34915-66-7- PubChem CID
- 54265437
- DTXSID
DTXSID801340033
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 268
Related reactions
5 records
Compound notes
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