2-Chloro-4-methylphenylboronic Acid - CAS 145349-62-8
Catalog: |
BB009930 |
Product Name: |
2-Chloro-4-methylphenylboronic Acid |
CAS: |
145349-62-8 |
Synonyms: |
(2-chloro-4-methylphenyl)boronic acid; (2-chloro-4-methylphenyl)boronic acid |
IUPAC Name: | (2-chloro-4-methylphenyl)boronic acid |
Description: | 2-Chloro-4-methylphenylboronic Acid (CAS# 145349-62-8) is a useful research chemical. |
Molecular Weight: | 170.40 |
Molecular Formula: | C7H8ClO2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C)Cl)(O)O |
InChI: | InChI=1S/C7H8BClO2/c1-5-2-3-6(8(10)11)7(9)4-5/h2-4,10-11H,1H3 |
InChI Key: | UKYCKUPXBPLXBA-UHFFFAOYSA-N |
Boiling Point: | 316.8 °C at 760 mmHg |
Density: | 1.26 g/cm3 |
MDL: | MFCD03411936 |
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 |
WO-2021209473-A1 | Biphenyl derivatives | 20200416 |
WO-2021209475-A1 | Sulfamoylamide derivatives | 20200416 |
WO-2021209481-A1 | Indazole derivatives | 20200416 |
WO-2021209484-A1 | Benzimidazole derivatives | 20200416 |
WO-2021209485-A1 | Benzimidazole derivatives | 20200416 |
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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