4-(Trifluoromethylsulfonyl)phenylacetic acid - CAS 1099597-82-6
Catalog: |
BB002569 |
Product Name: |
4-(Trifluoromethylsulfonyl)phenylacetic acid |
CAS: |
1099597-82-6 |
Synonyms: |
2-[4-(trifluoromethylsulfonyl)phenyl]acetic acid |
IUPAC Name: | 2-[4-(trifluoromethylsulfonyl)phenyl]acetic acid |
Description: | 4-(Trifluoromethylsulfonyl)phenylacetic acid (CAS# 1099597-82-6) is a useful research chemical. |
Molecular Weight: | 268.21 |
Molecular Formula: | C9H7F3O4S |
Canonical SMILES: | C1=CC(=CC=C1CC(=O)O)S(=O)(=O)C(F)(F)F |
InChI: | InChI=1S/C9H7F3O4S/c10-9(11,12)17(15,16)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H,13,14) |
InChI Key: | FIEUCHICQSJBAU-UHFFFAOYSA-N |
Appearance: | White to yellow to beige to brown powder or crystals |
MDL: | MFCD04973012 |
LogP: | 2.68800 |
Publication Number | Title | Priority Date |
EP-2832731-A1 | Aromatic heterocyclic five-membered ring derivative having trpv4 inhibitory activity | 20120327 |
JP-WO2013146754-A1 | Aromatic hetero 5-membered ring derivative having TRPV4 inhibitory activity | 20120327 |
US-2015038483-A1 | Aromatic 5-membered heterocyclic derivative having trpv4-inhibiting activity | 20120327 |
US-2017066759-A1 | Aromatic 5-membered heterocyclic derivative having trpv4-inhibiting activity | 20120327 |
US-9499533-B2 | Aromatic 5-membered heterocyclic derivative having TRPV4-Inhibiting activity | 20120327 |
Complexity: | 374 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.00171436 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.00171436 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 79.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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