| CAS Number | 1159512-61-4 |
| Catalog Number | AG00HD4U(AGN-PC-0WRAB4) |
| Chemical Name | 2-Fluoro-3-(trifluoromethoxy)phenylacetic acid |
| IUPAC Name | 2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid |
| InChI | InChI=1S/C9H6F4O3/c10-8-5(4-7(14)15)2-1-3-6(8)16-9(11,12)13/h1-3H,4H2,(H,14,15) |
| InChI Key | QTEFUQHCNAYNNO-UHFFFAOYSA-N |
| MDL Number | MFCD12026476 |
| Molecular Formula | C9H6F4O3 |
| Molecular Weight | 238.1358 |
| SMILES | FC1(=C(OC(F)(F)F)C=CC=C1CC(=O)O) |
| Synonyms | 2-Fluoro-3-(trifluoromethoxy)phenylacetic acid,
1159512-61-4,
2-[2-fluoro-3-(trifluoromethoxy)phenyl]acetic acid,
2-(2-Fluoro-3-(trifluoromethoxy)phenyl)acetic acid,
CTK7J2400,
ZX-AP002978,
MFCD12026476,
PC6352,
SBB098906,
ZINC36533791,
AKOS025393504,
PS-7620,
KS-00003R43,
K-1116,
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| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.138g/mol |
| Monoisotopic Mass | 238.025g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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