4-Nitro-2-((4-trifluoromethyl-phenylimino)-methyl)-phenol
Basic information
- CAS
294197-52-7- Standard SMILES
O=[N+]([O-])c1ccc(O)c(C=Nc2ccc(C(F)(F)F)cc2)c1- InChIKey
HVCKAKWJTGZIIW-UHFFFAOYSA-N- Molecular formula
- C14H9F3N2O3
- Average molar mass
- 310.23 g/mol
- Monoisotopic mass
- 310.05652664
Names & identifiers
- Preferred name
- 4-Nitro-2-((4-trifluoromethyl-phenylimino)-methyl)-phenol
- IUPAC
- 4-nitro-2-[[4-(trifluoromethyl)phenyl]iminomethyl]phenol
Names & synonyms
4-NITRO-2-((4-TRIFLUOROMETHYL-PHENYLIMINO)-METHYL)-PHENOLCHEMBL4444436SCHEMBL22624764HVCKAKWJTGZIIW-QGMBQPNBSA-NSTK368835AKOS005444467ST505614302-{(1E)-2-[4-(trifluoromethyl)phenyl]-2-azavinyl}-4-nitrophenol4-nitro-2-[(E)-{[4-(trifluoromethyl)phenyl]imino}methyl]phenol
Database identifiers
- CAS
294197-52-7- PubChem CID
- 3607669
- ChEMBL
CHEMBL4444436- EC Number
- 159-303-2
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 415
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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