| CAS Number | 1261864-95-2 |
| Catalog Number | AG000S2A(AGN-PC-0WA6PI) |
| Chemical Name | 2-Fluoro-5-(3-trifluoromethoxyphenyl)benzoic acid |
| IUPAC Name | 2-fluoro-5-[3-(trifluoromethoxy)phenyl]benzoic acid |
| InChI | InChI=1S/C14H8F4O3/c15-12-5-4-9(7-11(12)13(19)20)8-2-1-3-10(6-8)21-14(16,17)18/h1-7H,(H,19,20) |
| InChI Key | VZDWAFXBXQOAEG-UHFFFAOYSA-N |
| MDL Number | MFCD18322408 |
| Molecular Formula | C14H8F4O3 |
| Molecular Weight | 300.2051 |
| SMILES | OC(=O)c1cc(ccc1F)c1cccc(c1)OC(F)(F)F |
| Synonyms | 2-FLUORO-5-(3-TRIFLUOROMETHOXYPHENYL)BENZOIC ACID,
1261864-95-2,
ACMC-209b2m,
CTK8A9650,
DTXSID50681368,
ANW-18620,
MFCD18322408,
ZINC61703061,
AKOS012214725,
TC-107365,
Z9083,
B-6814,
I01-11618,
4-Fluoro-3'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid,
[1,1'-Biphenyl]-3-carboxylic acid, 4-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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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number