Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate
Basic information
- CAS
121325-44-8- Standard SMILES
COC(=O)c1cc(Oc2cc(C(F)(F)F)ccc2Cl)ccc1[N+](=O)[O-]- InChIKey
QBFYBNCGOQKESJ-UHFFFAOYSA-N- Molecular formula
- C15H9ClF3NO5
- Average molar mass
- 375.68 g/mol
- Monoisotopic mass
- 375.0121346
Names & identifiers
- Preferred name
- Methyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoate
- IUPAC
- methyl 5-[2-chloro-5-(trifluoromethyl)phenoxy]-2-nitrobenzoate
- English name
- 5-[2-Chloro-5-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid methyl ester
- Molecular weight
- 0
Names & synonyms
121325-44-8methyl 5-[2-chloro-5-(trifluoromethyl)phenoxy]-2-nitrobenzoateMethyl 5-(2-chloro-5-(trifluoromethyl)phenoxy)-2-nitrobenzoateDTXSID20153229RefChem:355904DTXCID6075720QBFYBNCGOQKESJ-UHFFFAOYSA-N5-[2-Chloro-5-(trifluoromethyl)phenoxy]-2-nitrobenzoic acid methyl esterRH-5348
Database identifiers
- CAS
121325-44-8- PubChem CID
- 93544
- DTXSID
DTXSID20153229- Nikkaji
- J328.136A
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 499
Experimental & physicochemical properties
LogP4.21
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Related reactions
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Compound notes
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