Basic information
- CAS
20404-02-8- Standard SMILES
O=[N+]([O-])c1cc(Cl)c(O)c(Cl)c1Cl- InChIKey
UAXQXSVCGHEVMI-UHFFFAOYSA-N- Molecular formula
- C6H2Cl3NO3
- Average molar mass
- 242.4 g/mol
- Monoisotopic mass
- 240.910026
Names & identifiers
- Preferred name
- 2,3,6-Trichloro-4-nitrophenol
- IUPAC
- 2,3,6-trichloro-4-nitrophenol
- English name
- 2,3,6-Trichloro-4-nitrophenol
- Molecular formula
- C6H2Cl3NO3
- Molecular weight
- 242.44
Names & synonyms
2,3,6-TRICHLORO-4-NITROPHENOL20404-02-8Phenol,2,3,6-trichloro-4-nitro-NSC141443Phenol, 2,3,6-trichloro-4-nitro-SCHEMBL9226136DTXSID70878854Resmetirom (Mgl-3196) Impurity 55NSC 141443NSC-141443DS-012172resmetirom Impurity 56
Database identifiers
- CAS
20404-02-8- PubChem CID
- 30144
- DTXSID
DTXSID70878854- Nikkaji
- J1.605.838F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
LogP3.93
Chemistry & industry
Suppliers4 total
Moxin Chemicals+86-17320513646 +86-17320513646 · [email protected]
深圳摩科生化科技有限公司18627923403 · [email protected]
深圳市恒丰万达医药科技有限公司13986652530 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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