3-Chloro-2-(trifluoromethyl)phenylboronic acid - CAS 1401990-62-2
Catalog: |
BB062490 |
Product Name: |
3-Chloro-2-(trifluoromethyl)phenylboronic acid |
CAS: |
1401990-62-2 |
Synonyms: |
3-Chloro-2-(trifluoromethyl)phenylboronic acid; (3-Chloro-2-(trifluoromethyl)phenyl)boronic acid; [3-chloro-2-(trifluoromethyl)phenyl]boronic acid |
IUPAC Name: | [3-chloro-2-(trifluoromethyl)phenyl]boronic acid |
Description: | 3-Chloro-2-(trifluoromethyl)phenylboronic acid |
Molecular Weight: | 224.37 |
Molecular Formula: | C7H5BClF3O2 |
Canonical SMILES: | B(C1=C(C(=CC=C1)Cl)C(F)(F)F)(O)O |
InChI: | InChI=1S/C7H5BClF3O2/c9-5-3-1-2-4(8(13)14)6(5)7(10,11)12/h1-3,13-14H |
InChI Key: | ICRQHMYYORUKKC-UHFFFAOYSA-N |
Complexity: | 200 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.0023217 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.0023217 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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