2,2-Difluoro-2-mesitylacetic Acid - CAS 1436389-32-0
Catalog: |
BB009634 |
Product Name: |
2,2-Difluoro-2-mesitylacetic Acid |
CAS: |
1436389-32-0 |
Synonyms: |
2,2-difluoro-2-(2,4,6-trimethylphenyl)acetic acid; 2,2-difluoro-2-(2,4,6-trimethylphenyl)acetic acid |
IUPAC Name: | 2,2-difluoro-2-(2,4,6-trimethylphenyl)acetic acid |
Description: | 2,2-Difluoro-2-mesitylacetic Acid (CAS# 1436389-32-0 ) is a useful research chemical. |
Molecular Weight: | 214.21 |
Molecular Formula: | C11H12F2O2 |
Canonical SMILES: | CC1=CC(=C(C(=C1)C)C(C(=O)O)(F)F)C |
InChI: | InChI=1S/C11H12F2O2/c1-6-4-7(2)9(8(3)5-6)11(12,13)10(14)15/h4-5H,1-3H3,(H,14,15) |
InChI Key: | DMDVMNWJSQKUQK-UHFFFAOYSA-N |
LogP: | 2.78820 |
Complexity: | 241 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.08053595 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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