2,2-Difluoro-2-(p-tolyl)acetic Acid - CAS 131323-10-9
Catalog: |
BB007291 |
Product Name: |
2,2-Difluoro-2-(p-tolyl)acetic Acid |
CAS: |
131323-10-9 |
Synonyms: |
2,2-difluoro-2-(4-methylphenyl)acetic acid; 2,2-difluoro-2-(4-methylphenyl)acetic acid |
IUPAC Name: | 2,2-difluoro-2-(4-methylphenyl)acetic acid |
Description: | 2,2-Difluoro-2-(p-tolyl)acetic Acid (CAS# 131323-10-9) is a useful research chemical. |
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 |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 2.17140 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020247785-A1 | IL-17 Ligands And Uses Thereof | 20190206 |
WO-2020163554-A1 | Il-17a modulators and uses thereof | 20190206 |
TW-202045481-A | Il-17a modulators and uses thereof | 20190206 |
EP-3277670-A1 | Inhibitors of indoleamine 2,3-dioxygenase for the treatment of cancer | 20150403 |
EP-3277671-A1 | Inhibitors of indoleamine 2,3-dioxygenase for the treatment of cancer | 20150403 |
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: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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