(E)-4-(2,4,5-Trifluorophenyl)but-2-enoic Acid - CAS 1840966-95-1
Catalog: |
BB076833 |
Product Name: |
(E)-4-(2,4,5-Trifluorophenyl)but-2-enoic Acid |
CAS: |
1840966-95-1 |
Synonyms: |
(2E)-4-(2,4,5-Trifluorophenyl)-2-butenoic Acid |
IUPAC Name: | (E)-4-(2,4,5-trifluorophenyl)but-2-enoic acid |
Description: | (E)-4-(2,4,5-Trifluorophenyl)but-2-enoic Acid (CAS# 1840966-95-1) is a useful research compound. |
Molecular Weight: | 216.16 |
Molecular Formula: | C10H7F3O2 |
Canonical SMILES: | C1=C(C(=CC(=C1F)F)F)CC=CC(=O)O |
InChI: | InChI=1S/C10H7F3O2/c11-7-5-9(13)8(12)4-6(7)2-1-3-10(14)15/h1,3-5H,2H2,(H,14,15)/b3-1+ |
InChI Key: | LTQSXIYFLNHNDE-HNQUOIGGSA-N |
Complexity: | 255 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 216.03981395 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.03981395 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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