4-Bromo-3-(trifluoromethyl)phenylacetic Acid - CAS 914637-17-5
Catalog: |
BB040202 |
Product Name: |
4-Bromo-3-(trifluoromethyl)phenylacetic Acid |
CAS: |
914637-17-5 |
Synonyms: |
2-[4-bromo-3-(trifluoromethyl)phenyl]acetic acid; 2-[4-bromo-3-(trifluoromethyl)phenyl]acetic acid |
IUPAC Name: | 2-[4-bromo-3-(trifluoromethyl)phenyl]acetic acid |
Description: | 4-Bromo-3-(trifluoromethyl)phenylacetic Acid (CAS# 914637-17-5) is a useful research chemical. |
Molecular Weight: | 283.04 |
Molecular Formula: | C9H6BrF3O2 |
Canonical SMILES: | C1=CC(=C(C=C1CC(=O)O)C(F)(F)F)Br |
InChI: | InChI=1S/C9H6BrF3O2/c10-7-2-1-5(4-8(14)15)3-6(7)9(11,12)13/h1-3H,4H2,(H,14,15) |
InChI Key: | XHELBVCWQUJGRW-UHFFFAOYSA-N |
LogP: | 3.09500 |
Publication Number | Title | Priority Date |
US-2013085142-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | 20110929 |
US-8669255-B2 | Substituted octahydropyrrolo[1,2-a]pyrazines as calcium channel blockers | 20110929 |
WO-2013049164-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINES AS CALCIUM CHANNEL BLOCKERS | 20110929 |
AU-2010221493-A1 | N- (hetero)aryl, 2- (hetero)aryl-substituted acetamides for use as Wnt signaling modulators | 20090302 |
AU-2010221493-B2 | N- (hetero)aryl, 2- (hetero)aryl-substituted acetamides for use as Wnt signaling modulators | 20090302 |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.95033 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.95033 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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