Basic information
- CAS
50594-75-7- Standard SMILES
O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1Oc1ccc(C(F)(F)F)cc1Cl- InChIKey
UNFBXLHCJMSGRQ-UHFFFAOYSA-N- Molecular formula
- C20H9Cl2F6NO4
- Average molar mass
- 512.2 g/mol
- Monoisotopic mass
- 510.9812821
Names & identifiers
- Preferred name
- 2,4-Bis(2-chloro-4-trifluoromethylphenoxy)nitrobenzene
- IUPAC
- 2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenoxy]-4-(trifluoromethyl)benzene
Names & synonyms
50594-75-72,4-bis(2-chloro-4-trifluoromethylphenoxy)nitrobenzene2-chloro-1-[3-[2-chloro-4-(trifluoromethyl)phenoxy]-4-nitrophenoxy]-4-(trifluoromethyl)benzene4,4'-((4-nitro-1,3-phenylene)bis(oxy))bis(3-chloro-1-(trifluoromethyl)benzene)Oxyfluorfen IMpurity 2SCHEMBL10540835SCHEMBL30689708DTXSID20514053MFCD28961434DB-342245Bis-2,4-(2-chloro-4-trifluromethylphenoxy)-1-nitrobenzeneBENZENE, 2,4-BIS(2-CHLORO-4-(TRIFLUOROMETHYL)PHENOXY)-1-NITRO-
Show more names
1,1'-[(4-Nitro-1,3-phenylene)bis(oxy)]bis[2-chloro-4-(trifluoromethyl)benzene]
Database identifiers
- CAS
50594-75-7- PubChem CID
- 12960209
- DTXSID
DTXSID20514053
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 676
Related reactions
1 records
Compound notes
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