4-Chloro-2-formylphenylboronic Acid Pinacol Ester - CAS 1132669-91-0
Catalog: |
BB070226 |
Product Name: |
4-Chloro-2-formylphenylboronic Acid Pinacol Ester |
CAS: |
1132669-91-0 |
Synonyms: |
5-Chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
IUPAC Name: | 5-chloro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
Description: | 4-Chloro-2-formylphenylboronic acid, pinacol ester |
Molecular Weight: | 266.53 |
Molecular Formula: | C13H16BClO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)Cl)C=O |
InChI: | InChI=1S/C13H16BClO3/c1-12(2)13(3,4)18-14(17-12)11-6-5-10(15)7-9(11)8-16/h5-8H,1-4H3 |
InChI Key: | JSGQMZRCRXFFKM-UHFFFAOYSA-N |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 266.0881022 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 266.0881022 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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