2,6-Difluoro-3-methylphenylboronic acid - CAS 1586045-40-0
Catalog: |
BB067693 |
Product Name: |
2,6-Difluoro-3-methylphenylboronic acid |
CAS: |
1586045-40-0 |
Synonyms: |
2,6-DIFLUORO-3-METHYLPHENYLBORONIC ACID; (2,6-difluoro-3-methylphenyl)boronic acid |
IUPAC Name: | (2,6-difluoro-3-methylphenyl)boronic acid |
Description: | 2,6-Difluoro-3-methylphenylboronic acid |
Molecular Weight: | 171.94 |
Molecular Formula: | C7H7BF2O2 |
Canonical SMILES: | B(C1=C(C=CC(=C1F)C)F)(O)O |
InChI: | InChI=1S/C7H7BF2O2/c1-4-2-3-5(9)6(7(4)10)8(11)12/h2-3,11-12H,1H3 |
InChI Key: | LYEXPRVYGCOGMB-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 156 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.050716 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.050716 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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