3-(Bromomethyl)phenylboronic Acid Pinacol Ester - CAS 214360-74-4
Catalog: |
BB016863 |
Product Name: |
3-(Bromomethyl)phenylboronic Acid Pinacol Ester |
CAS: |
214360-74-4 |
Synonyms: |
2-[3-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[3-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[3-(bromomethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 3-(Bromomethyl)phenylboronic Acid Pinacol Ester (CAS# 214360-74-4) is a useful research chemical. |
Molecular Weight: | 297.00 |
Molecular Formula: | C13H18BrO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)CBr |
InChI: | InChI=1S/C13H18BBrO2/c1-12(2)13(3,4)17-14(16-12)11-7-5-6-10(8-11)9-15/h5-8H,9H2,1-4H3 |
InChI Key: | WUIYGXGXVOHAFW-UHFFFAOYSA-N |
Boiling Point: | 360.9 °C at 760 mmHg |
Density: | 1.26 g/cm3 |
Appearance: | Beige powder |
MDL: | MFCD02183481 |
LogP: | 2.88070 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-112480025-A | Compound with aggregation-induced emission function and preparation method and application thereof | 20201211 |
WO-2019106087-A1 | Ampk inhibitors | 20171129 |
EP-3645528-A1 | Compounds having multimodal activity against pain | 20170626 |
US-2020123115-A1 | Compounds having multimodal activity against pain | 20170626 |
WO-2019002173-A1 | COMPOUNDS HAVING MULTIMODAL ACTIVITY AGAINST PAIN | 20170626 |
Complexity: | 265 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 296.05832 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 296.05832 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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