4-(Trifluoromethyl)cyclohexanecarboxylic acid, mixture of cis and trans - CAS 95233-30-0
Catalog: |
BB041653 |
Product Name: |
4-(Trifluoromethyl)cyclohexanecarboxylic acid, mixture of cis and trans |
CAS: |
95233-30-0 |
Synonyms: |
0 |
IUPAC Name: | 4-(trifluoromethyl)cyclohexane-1-carboxylic acid |
Description: | 4-(Trifluoromethyl)cyclohexanecarboxylic acid, mixture of cis and trans (CAS# 95233-30-0) is a useful research chemical. |
Molecular Weight: | 196.17 |
Molecular Formula: | 0 |
Canonical SMILES: | 0 |
InChI: | 0 |
InChI Key: | 0 |
Boiling Point: | 230-231 ℃ |
Melting Point: | 71-75 ℃ |
Purity: | > 98.0 % (GC) (T) |
MDL: | MFCD00220049 |
LogP: | 2.43970 |
GHS Hazard Statement: | H302 (88.89%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021198956-A1 | Compounds active towards nuclear receptors | 20200331 |
CN-113072521-A | ROR gamma t inhibitor and application thereof in medicine | 20200106 |
WO-2021097110-A1 | Therapeutic compounds and methods of use | 20191113 |
WO-2021069721-A1 | Atf6 modulators and uses thereof | 20191009 |
WO-2020153433-A1 | Substituent-including urea compound | 20190124 |
Complexity: | 192 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.07111408 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.07111408 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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