4-Butoxy-2,3-difluorophenylboronic Acid - CAS 156487-12-6
Catalog: |
BB070951 |
Product Name: |
4-Butoxy-2,3-difluorophenylboronic Acid |
CAS: |
156487-12-6 |
Synonyms: |
(4-Butoxy-2,3-difluorophenyl)boronic Acid; B-(4-Butoxy-2,3-difluorophenyl)boronic Acid |
IUPAC Name: | (4-butoxy-2,3-difluorophenyl)boronic acid |
Description: | 4-Butoxy-2,3-difluorophenylboronic acid |
Molecular Weight: | 230.02 |
Molecular Formula: | C10H13BF2O3 |
Canonical SMILES: | B(C1=C(C(=C(C=C1)OCCCC)F)F)(O)O |
InChI: | InChI=1S/C10H13BF2O3/c1-2-3-6-16-8-5-4-7(11(14)15)9(12)10(8)13/h4-5,14-15H,2-3,6H2,1H3 |
InChI Key: | NVIGFYPVKZNNAZ-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (66.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P391, and P501 |
Signal Word: | Danger |
Complexity: | 207 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.0925808 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.0925808 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 49.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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