4-Chloro-3-(trifluoromethoxy)phenylboronic Acid - CAS 902757-07-7
Catalog: |
BB039805 |
Product Name: |
4-Chloro-3-(trifluoromethoxy)phenylboronic Acid |
CAS: |
902757-07-7 |
Synonyms: |
[4-chloro-3-(trifluoromethoxy)phenyl]boronic acid; [4-chloro-3-(trifluoromethoxy)phenyl]boronic acid |
IUPAC Name: | [4-chloro-3-(trifluoromethoxy)phenyl]boronic acid |
Description: | 4-Chloro-3-(trifluoromethoxy)phenylboronic Acid (CAS# 902757-07-7) is a useful research chemical. |
Molecular Weight: | 240.37 |
Molecular Formula: | C7H5ClF3O3B |
Canonical SMILES: | B(C1=CC(=C(C=C1)Cl)OC(F)(F)F)(O)O |
InChI: | InChI=1S/C7H5BClF3O3/c9-5-2-1-4(8(13)14)3-6(5)15-7(10,11)12/h1-3,13-14H |
InChI Key: | ZTIWEYMDQDWLHC-UHFFFAOYSA-N |
LogP: | 0.91840 |
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 |
JP-2013010750-A | Medicine containing two-pyridone compound | 20110602 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
AU-2010327597-A1 | 2-Pyridone compounds | 20091204 |
AU-2010327597-B2 | 2-Pyridone compounds | 20091204 |
Complexity: | 214 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.9972364 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.9972364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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