4-Chloro-2-methylphenylboronic Acid Pinacol Ester - CAS 1030832-75-7
Catalog: |
BB069370 |
Product Name: |
4-Chloro-2-methylphenylboronic Acid Pinacol Ester |
CAS: |
1030832-75-7 |
Synonyms: |
2-(4-Chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(4-chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 4-Chloro-2-methylphenylboronic acid pinacol ester |
Molecular Weight: | 252.55 |
Molecular Formula: | C13H18BClO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)C |
InChI: | InChI=1S/C13H18BClO2/c1-9-8-10(15)6-7-11(9)14-16-12(2,3)13(4,5)17-14/h6-8H,1-5H3 |
InChI Key: | ZIJGXUGXNRWECN-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 277 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.1088377 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.1088377 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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