3-Butoxy-5-chloro-4-isopropoxyphenylboronic acid - CAS 1793003-79-8
Catalog: |
BB070946 |
Product Name: |
3-Butoxy-5-chloro-4-isopropoxyphenylboronic acid |
CAS: |
1793003-79-8 |
Synonyms: |
3-Butoxy-5-chloro-4-isopropoxyphenylboronic acid; (3-Butoxy-5-chloro-4-isopropoxyphenyl)boronic acid; (3-butoxy-5-chloro-4-propan-2-yloxyphenyl)boronic acid |
IUPAC Name: | (3-butoxy-5-chloro-4-propan-2-yloxyphenyl)boronic acid |
Description: | 3-Butoxy-5-chloro-4-isopropoxyphenylboronic acid |
Molecular Weight: | 286.56 |
Molecular Formula: | C13H20BClO4 |
Canonical SMILES: | B(C1=CC(=C(C(=C1)Cl)OC(C)C)OCCCC)(O)O |
InChI: | InChI=1S/C13H20BClO4/c1-4-5-6-18-12-8-10(14(16)17)7-11(15)13(12)19-9(2)3/h7-9,16-17H,4-6H2,1-3H3 |
InChI Key: | WYLGFMBTFBBDOZ-UHFFFAOYSA-N |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.114317 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.114317 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 58.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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