4-Bromomethyl-3-chlorophenylboronic Acid, Pinacol Ester - CAS 1402238-25-8
Catalog: |
BB071535 |
Product Name: |
4-Bromomethyl-3-chlorophenylboronic Acid, Pinacol Ester |
CAS: |
1402238-25-8 |
Synonyms: |
2-(4-(Bromomethyl)-3-chlorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-Bromomethyl-3-chlorophenylboronic acid, pinacol ester; 2-[4-(bromomethyl)-3-chlorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 4-Bromomethyl-3-chlorophenylboronic acid pinacol ester |
IUPAC Name: | 2-[4-(bromomethyl)-3-chlorophenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Molecular Weight: | 331.44 |
Molecular Formula: | C13H17BBrClO2 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)CBr)Cl |
InChI: | InChI=1S/C13H17BBrClO2/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-15)11(16)7-10/h5-7H,8H2,1-4H3 |
InChI Key: | VMYBBVYMLVXREL-UHFFFAOYSA-N |
Complexity: | 295 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.01935 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.01935 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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