3,5-Bis(trifluoromethyl)hydrocinnamic acid - CAS 181772-16-7
Catalog: |
BB013833 |
Product Name: |
3,5-Bis(trifluoromethyl)hydrocinnamic acid |
CAS: |
181772-16-7 |
Synonyms: |
3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid |
IUPAC Name: | 3-[3,5-bis(trifluoromethyl)phenyl]propanoic acid |
Description: | 3,5-Bis(trifluoromethyl)hydrocinnamic acid (CAS# 181772-16-7) is a useful research chemical. |
Molecular Weight: | 286.17 |
Molecular Formula: | C11H8F6O2 |
Canonical SMILES: | C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)CCC(=O)O |
InChI: | InChI=1S/C11H8F6O2/c12-10(13,14)7-3-6(1-2-9(18)19)4-8(5-7)11(15,16)17/h3-5H,1-2H2,(H,18,19) |
InChI Key: | LISLXJGPJUAEHU-UHFFFAOYSA-N |
Boiling Point: | 247 °C at 760 mmHg |
Density: | 1.427 g/cm3 |
MDL: | MFCD00674033 |
LogP: | 3.74140 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020181455-A1 | Nano-adhesive and surface primer compound and use thereof | 20150930 |
WO-2017059057-A1 | Nano-adhesive and surface primer compound and use thereof | 20150930 |
EP-2970302-A1 | S1p and/or atx modulating agents | 20130315 |
TW-201446768-A | S1P and / or ATX regulator | 20130315 |
US-2016039825-A1 | S1p and/or atx modulating agents | 20130315 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.04284847 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.04284847 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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