| CAS Number | 1133116-03-6 |
| Catalog Number | AG003FAS(AGN-PC-0WA5HJ) |
| Chemical Name | 2,2-Difluoro-2-(2-(trifluoromethoxy)phenyl)acetic acid |
| IUPAC Name | 2,2-difluoro-2-[2-(trifluoromethoxy)phenyl]acetic acid |
| InChI | InChI=1S/C9H5F5O3/c10-8(11,7(15)16)5-3-1-2-4-6(5)17-9(12,13)14/h1-4H,(H,15,16) |
| InChI Key | JIKMKBRSFLYDPZ-UHFFFAOYSA-N |
| MDL Number | MFCD11855928 |
| Molecular Formula | C9H5F5O3 |
| Molecular Weight | 256.1262 |
| SMILES | O=C(O)C(F)(F)C1=CC=CC=C1OC(F)(F)F |
| Synonyms | 2,2-DIFLUORO-2-(2-(TRIFLUOROMETHOXY)PHENYL)ACETIC ACID,
1133116-03-6,
ACMC-2099ix,
C9H5F5O3,
SCHEMBL17420774,
CTK4A8237,
DTXSID40674966,
JIKMKBRSFLYDPZ-UHFFFAOYSA-N,
ANW-16615,
MFCD11855928,
ZINC38537395,
AKOS006083239,
RTR-002570,
TR-002570,
Z7452,
A-5004,
Difluoro[2-(trifluoromethoxy)phenyl]acetic acid,
I04-2713,
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| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.128g/mol |
| Monoisotopic Mass | 256.016g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number