| CAS Number | 1261837-34-6 |
| Catalog Number | AG000S1S(AGN-PC-0WA6OG) |
| Chemical Name | 2-Fluoro-4-(3-trifluoromethoxyphenyl)benzoic acid |
| IUPAC Name | 2-fluoro-4-[3-(trifluoromethoxy)phenyl]benzoic acid |
| InChI | InChI=1S/C14H8F4O3/c15-12-7-9(4-5-11(12)13(19)20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,(H,19,20) |
| InChI Key | IEQHYJGUDCKCOU-UHFFFAOYSA-N |
| MDL Number | MFCD18322407 |
| Molecular Formula | C14H8F4O3 |
| Molecular Weight | 300.2051 |
| SMILES | OC(=O)c1ccc(cc1F)c1cccc(c1)OC(F)(F)F |
| Synonyms | 2-FLUORO-4-(3-TRIFLUOROMETHOXYPHENYL)BENZOIC ACID,
1261837-34-6,
ACMC-209b2i,
CTK8A9646,
DTXSID10681369,
ANW-18616,
MFCD18322407,
ZINC61703062,
AKOS012214901,
TC-107361,
Z9079,
B-6811,
I01-11630,
3-Fluoro-3'-(trifluoromethoxy)[1,1'-biphenyl]-4-carboxylic acid,
[1,1'-Biphenyl]-4-carboxylic acid, 3-fluoro-3'-(trifluoromethoxy)-,
C14H8F4O3,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 300.209g/mol |
| Monoisotopic Mass | 300.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number