2,2-Difluoro-2-p-tolylacetic Acid
Catalog: |
BB067751 |
Product Name: |
2,2-Difluoro-2-p-tolylacetic Acid |
Synonyms: |
2,2-difluoro-2-p-tolylacetic acid; 2,2-Difluoro-2-(p-tolyl)acetic acid; 2,2-Difluoro-2-(4-methylphenyl)acetic acid; Difluoro(4-methylphenyl)acetic acid; 2,2-Difluoro-2-(p-tolyl)aceticacid; Difluoro-(p-tolyl)acetic acid |
IUPAC Name: | 2,2-difluoro-2-(4-methylphenyl)acetic acid |
Description: | 2,2-Difluoro-2-p-tolylacetic acid is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 186.16 |
Molecular Formula: | C9H8F2O2 |
Canonical SMILES: | CC1=CC=C(C=C1)C(C(=O)O)(F)F |
InChI: | InChI=1S/C9H8F2O2/c1-6-2-4-7(5-3-6)9(10,11)8(12)13/h2-5H,1H3,(H,12,13) |
InChI Key: | MFPQENPQBLFBEK-UHFFFAOYSA-N |
References: | Tilley, J. W., et al. J. Med. Chem., 34, 1125 (1991); Guo, X., et al. Org. Chem. Front., 9, 3192 (2022). |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 196 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.04923582 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.04923582 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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