Ethyl 2,2-Difluoro-2-(p-tolyl)acetate - CAS 131323-06-3
Catalog: |
BB007290 |
Product Name: |
Ethyl 2,2-Difluoro-2-(p-tolyl)acetate |
CAS: |
131323-06-3 |
Synonyms: |
2,2-difluoro-2-(4-methylphenyl)acetic acid ethyl ester; ethyl 2,2-difluoro-2-(4-methylphenyl)acetate |
IUPAC Name: | ethyl 2,2-difluoro-2-(4-methylphenyl)acetate |
Description: | Ethyl 2,2-Difluoro-2-(p-tolyl)acetate (CAS# 131323-06-3 ) is a useful research chemical. |
Molecular Weight: | 214.21 |
Molecular Formula: | C11H12F2O2 |
Canonical SMILES: | CCOC(=O)C(C1=CC=C(C=C1)C)(F)F |
InChI: | InChI=1S/C11H12F2O2/c1-3-15-10(14)11(12,13)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
InChI Key: | XMFLSHALHZBESY-UHFFFAOYSA-N |
LogP: | 2.64990 |
Publication Number | Title | Priority Date |
US-2017233380-A1 | Novel compounds as ror gamma modulators | 20150803 |
US-9975887-B2 | Compounds as ROR gamma modulators | 20150803 |
US-2018271869-A1 | Treatment of anxiety disorders and autism spectrum disorders | 20140922 |
DK-3194403-T3 | PYRROLOPYRIMIDINE DERIVATIVES AS NR2B NMDA RECEPTOR ANTAGONISTS | 20140915 |
EP-3194403-B1 | Pyrrolopyrimidine derivatives as nr2b nmda receptor antagonists | 20140915 |
Complexity: | 221 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.08053595 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.08053595 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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