Benzoic acid, 2,3,6-trichloro-4,5-dihydroxy-
Basic information
- CAS
99165-96-5- Standard SMILES
O=C(O)c1c(Cl)c(O)c(O)c(Cl)c1Cl- InChIKey
FAFLWTPCSJXFSP-UHFFFAOYSA-N- Molecular formula
- C7H3Cl3O4
- Average molar mass
- 257.5 g/mol
- Monoisotopic mass
- 255.909692
Names & identifiers
- Preferred name
- Benzoic acid, 2,3,6-trichloro-4,5-dihydroxy-
- IUPAC
- 2,3,6-trichloro-4,5-dihydroxybenzoic acid
Names & synonyms
99165-96-5Benzoic acid, 2,3,6-trichloro-4,5-dihydroxy-2,3,6-trichloro-4,5-dihydroxybenzoic acidDTXSID00243975
Database identifiers
- CAS
99165-96-5- PubChem CID
- 57480
- DTXSID
DTXSID00243975
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 237
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Compound notes
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