3-Chloro-5-methylphenylboronic Acid - CAS 913836-14-3
Catalog: |
BB040156 |
Product Name: |
3-Chloro-5-methylphenylboronic Acid |
CAS: |
913836-14-3 |
Synonyms: |
(3-chloro-5-methylphenyl)boronic acid; (3-chloro-5-methylphenyl)boronic acid |
IUPAC Name: | (3-chloro-5-methylphenyl)boronic acid |
Description: | 3-Chloro-5-methylphenylboronic Acid (CAS# 913836-14-3) is a useful research chemical. |
Molecular Weight: | 170.40 |
Molecular Formula: | C7H8ClO2B |
Canonical SMILES: | B(C1=CC(=CC(=C1)Cl)C)(O)O |
InChI: | InChI=1S/C7H8BClO2/c1-5-2-6(8(10)11)4-7(9)3-5/h2-4,10-11H,1H3 |
InChI Key: | QXHLBINWDJITMJ-UHFFFAOYSA-N |
Boiling Point: | 336.3 °C at 760 mmHg |
Density: | 1.26 g/cm3 |
LogP: | 0.32820 |
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 |
US-2021154216-A1 | Inhibitors of metallo-beta-lactamases produced by multidrug-resistant bacteria | 20191121 |
WO-2019215341-A1 | Furin inhibitors | 20180511 |
AU-2019267166-A1 | Furin inhibitors | 20180511 |
CN-112384509-A | Furin inhibitors | 20180511 |
EP-3790871-A1 | Furin inhibitors | 20180511 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0305874 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0305874 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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