3-Chloro-4-fluoro-5-methoxyphenylboronic acid - CAS 1379466-82-6
Catalog: |
BB069443 |
Product Name: |
3-Chloro-4-fluoro-5-methoxyphenylboronic acid |
CAS: |
1379466-82-6 |
Synonyms: |
3-Chloro-4-fluoro-5-methoxyphenylboronic acid; (3-chloro-4-fluoro-5-methoxyphenyl)boronic acid; 3-Chloro-4-fluoro-5-methoxyphenylboronicacid |
IUPAC Name: | (3-chloro-4-fluoro-5-methoxyphenyl)boronic acid |
Description: | 3-Chloro-4-fluoro-5-methoxyphenylboronic acid |
Molecular Weight: | 204.39 |
Molecular Formula: | C7H7BClFO3 |
Canonical SMILES: | B(C1=CC(=C(C(=C1)Cl)F)OC)(O)O |
InChI: | InChI=1S/C7H7BClFO3/c1-13-6-3-4(8(11)12)2-5(9)7(6)10/h2-3,11-12H,1H3 |
InChI Key: | YYTGAWMIMXFEOE-UHFFFAOYSA-N |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.0160801 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.0160801 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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