3-Ethylphenylboronic Acid - CAS 90555-65-0
Catalog: |
BB039880 |
Product Name: |
3-Ethylphenylboronic Acid |
CAS: |
90555-65-0 |
Synonyms: |
(3-ethylphenyl)boronic acid; (3-ethylphenyl)boronic acid |
IUPAC Name: | (3-ethylphenyl)boronic acid |
Description: | 3-Ethylphenylboronic Acid (CAS# 90555-65-0) is a useful research chemical. |
Molecular Weight: | 149.98 |
Molecular Formula: | C8H11O2B |
Canonical SMILES: | B(C1=CC(=CC=C1)CC)(O)O |
InChI: | InChI=1S/C8H11BO2/c1-2-7-4-3-5-8(6-7)9(10)11/h3-6,10-11H,2H2,1H3 |
InChI Key: | JIMVRUCDZGFJRE-UHFFFAOYSA-N |
Boiling Point: | 299.6 °C at 760 mmHg |
Flash Point: | Not applicable |
Density: | 1.07 g/cm3 |
Appearance: | Solid |
MDL: | MFCD06657721 |
LogP: | -0.07120 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P302 + P352 - P305 + P351 + P338 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020244462-A1 | Indole derivatives and pharmaceutical use thereof | 20190603 |
US-2021053917-A1 | Novel thyromimetics | 20190301 |
WO-2020180624-A1 | Novel thyromimetics | 20190301 |
WO-2020050409-A1 | Heterocyclic compound | 20180907 |
CN-112654627-A | Heterocyclic compounds | 20180907 |
Complexity: | 117 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 150.0852098 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 150.0852098 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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