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| IUPAC Name: | 2-[3,5-bis(trifluoromethyl)phenyl]acetic acid |
| Description: | 3,5-Bis(trifluoromethyl)phenylacetic acid (CAS# 85068-33-3) is a useful synthetic intermediate. It can be used to synthesize peptidomimetic derivatives based on a versatile phenylglycine central core or analogs of Vestipitant as NK1 receptor antagonists. |
| Molecular Weight: | 272.14 |
| Molecular Formula: | C10H6F6O2 |
| Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CC(=O)O |
| InChI: | InChI=1S/C10H6F6O2/c11-9(12,13)6-1-5(3-8(17)18)2-7(4-6)10(14,15)16/h1-2,4H,3H2,(H,17,18) |
| InChI Key: | PAWSKKHEEYTXSA-UHFFFAOYSA-N |
| Boiling Point: | 227.7 ℃ at 760 mmHg |
| Melting Point: | 121-123 ℃ |
| Purity: | 95 % |
| Density: | 1.479 g/cm3 |
| Appearance: | White solid |
| Storage: | Store in a cool, dry place. Store in a tightly closed container. |
| MDL: | MFCD00009908 |
| LogP: | 3.35130 |
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2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
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