| CAS Number | 1643-71-6 |
| Catalog Number | AG01A92K(AGN-PC-0NJFET) |
| Chemical Name | 2,3,5,6-Tetrafluoro-4-methoxyaniline |
| IUPAC Name | 2,3,5,6-tetrafluoro-4-methoxyaniline |
| InChI | InChI=1S/C7H5F4NO/c1-13-7-4(10)2(8)6(12)3(9)5(7)11/h12H2,1H3 |
| InChI Key | PTDKAQCACRZBNQ-UHFFFAOYSA-N |
| MDL Number | MFCD12174782 |
| Molecular Formula | C7H5F4NO |
| Molecular Weight | 195.1143 |
| SMILES | COC1=C(F)C(F)=C(N)C(F)=C1F |
| Synonyms | 2,3,5,6-tetrafluoro-4-methoxyaniline,
1643-71-6,
4-Methoxy-2,3,5,6-tetrafluoroaniline,
AC1Q45KD,
SCHEMBL6832953,
PTDKAQCACRZBNQ-UHFFFAOYSA-N,
ZINC35359682,
AKOS009494460,
MCULE-3022478161,
NE57615,
SC-66850,
EN300-64031,
Z1262327528,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.117g/mol |
| Monoisotopic Mass | 195.031g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number