3-Hydroxy-5-(trifluoromethyl)phenylboronic Acid - CAS 957062-66-7
Catalog: |
BB041814 |
Product Name: |
3-Hydroxy-5-(trifluoromethyl)phenylboronic Acid |
CAS: |
957062-66-7 |
Synonyms: |
[3-hydroxy-5-(trifluoromethyl)phenyl]boronic acid; [3-hydroxy-5-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [3-hydroxy-5-(trifluoromethyl)phenyl]boronic acid |
Description: | 3-Hydroxy-5-(trifluoromethyl)phenylboronic Acid (CAS# 957062-66-7) is a useful research chemical. |
Molecular Weight: | 205.93 |
Molecular Formula: | C7H6F3O3B |
Canonical SMILES: | B(C1=CC(=CC(=C1)O)C(F)(F)F)(O)O |
InChI: | InChI=1S/C7H6BF3O3/c9-7(10,11)4-1-5(8(13)14)3-6(12)2-4/h1-3,12-14H |
InChI Key: | KHBHZULNSZTOAL-UHFFFAOYSA-N |
Boiling Point: | 362.5 °C at 760 mmHg |
Density: | 1.5 g/cm3 |
MDL: | MFCD09878337 |
LogP: | 0.09080 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111601810-A | Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase | 20180115 |
US-2020405696-A1 | Inhibitors of indoleamine 2,3-dioxygenase and/or tryptophan 2,3-dioxygenase | 20180115 |
CN-111132961-A | Bisaryloxy derivatives as TTX-S blockers | 20170831 |
TW-201920107-A | Biaryloxy derivative as TTX-S blocker | 20170831 |
WO-2019045035-A1 | BIARYLOXY DERIVATIVES AS TTX-S BLOCKERS | 20170831 |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 206.0362087 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 206.0362087 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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