3-Chloro-2,4-difluorophenylboronic acid - CAS 1310384-18-9
Catalog: |
BB069916 |
Product Name: |
3-Chloro-2,4-difluorophenylboronic acid |
CAS: |
1310384-18-9 |
Synonyms: |
3-Chloro-2,4-difluorophenylboronic acid; (3-chloro-2,4-difluorophenyl)boronic acid; 3-Chloro-2,4-difluorobenzeneboronic acid |
IUPAC Name: | (3-chloro-2,4-difluorophenyl)boronic acid |
Description: | 3-Chloro-2,4-difluorophenylboronic acid |
Molecular Weight: | 192.36 |
Molecular Formula: | C6H4BClF2O2 |
Canonical SMILES: | B(C1=C(C(=C(C=C1)F)Cl)F)(O)O |
InChI: | InChI=1S/C6H4BClF2O2/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2,11-12H |
InChI Key: | FEZRHYMTLJNUTK-UHFFFAOYSA-N |
Complexity: | 161 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.9960936 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.9960936 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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