| CAS Number | 1073477-22-1 |
| Catalog Number | AG00974M(AGN-PC-0WAOR7) |
| Chemical Name | 2-Fluoro-4-(trifluoromethoxy)benzoic acid |
| IUPAC Name | 2-fluoro-4-(trifluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H4F4O3/c9-6-3-4(15-8(10,11)12)1-2-5(6)7(13)14/h1-3H,(H,13,14) |
| InChI Key | TUXSSQNLBPWREW-UHFFFAOYSA-N |
| MDL Number | MFCD16652439 |
| Molecular Formula | C8H4F4O3 |
| Molecular Weight | 224.1092 |
| SMILES | FC1=C(C(=O)O)C=CC(=C1)OC(F)(F)F |
| Synonyms | 2-fluoro-4-(trifluoromethoxy)benzoic acid,
1073477-22-1,
MFCD16652439,
SCHEMBL518632,
TUXSSQNLBPWREW-UHFFFAOYSA-N,
ZINC91252014,
AKOS015956467,
FCH1703176,
PC53010,
2-Fluoro-4-trifluoromethoxybenzoic acid,
PS-11271,
Benzoic acid, 2-fluoro-4-(trifluoromethoxy)-,
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| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 224.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 224.111g/mol |
| Monoisotopic Mass | 224.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number