4-Chloro-2-hydroxyphenylboronic acid - CAS 1238196-66-1
Catalog: |
BB069698 |
Product Name: |
4-Chloro-2-hydroxyphenylboronic acid |
CAS: |
1238196-66-1 |
Synonyms: |
4-Chloro-2-hydroxyphenylboronic acid; (4-chloro-2-hydroxyphenyl)boronic acid; 4-Chloro-2-hydroxyphenylboronicacid |
IUPAC Name: | (4-chloro-2-hydroxyphenyl)boronic acid |
Description: | 4-Chloro-2-hydroxyphenylboronic acid |
Molecular Weight: | 172.37 |
Molecular Formula: | C6H6BClO3 |
Canonical SMILES: | B(C1=C(C=C(C=C1)Cl)O)(O)O |
InChI: | InChI=1S/C6H6BClO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9-11H |
InChI Key: | XBNRJKSGOLRSRX-UHFFFAOYSA-N |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0098519 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0098519 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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