3-Fluoro-2-formylphenylboronic acid - CAS 871126-15-7
Catalog: |
BB038264 |
Product Name: |
3-Fluoro-2-formylphenylboronic acid |
CAS: |
871126-15-7 |
Synonyms: |
(3-fluoro-2-formylphenyl)boronic acid |
IUPAC Name: | (3-fluoro-2-formylphenyl)boronic acid |
Description: | Undergoes unprecedented tautomeric rearrangement in solution. |
Molecular Weight: | 167.93 |
Molecular Formula: | C7H6BFO3 |
Canonical SMILES: | B(C1=C(C(=CC=C1)F)C=O)(O)O |
InChI: | InChI=1S/C7H6BFO3/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-4,11-12H |
InChI Key: | GVHWLCYABLWGIR-UHFFFAOYSA-N |
Melting Point: | 123-127 °C |
Flash Point: | Not applicable |
Purity: | ≥ 95 % |
Appearance: | White to tan powder |
Storage: | 2-8 °C |
MDL: | MFCD10697421 |
LogP: | -0.68200 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-110437119-B | N-substituted nitrogen heterocyclic derivative and preparation method and application thereof | 20190905 |
EP-3674308-A1 | Organometallic compound and organic light-emitting device including the same | 20181228 |
US-2020212319-A1 | Organometallic compound and organic light-emitting device including the same | 20181228 |
CN-111377974-A | Organometallic compound and organic light emitting device including the same | 20181228 |
JP-2020059709-A | Organic metal compound and organic light emitting device containing the same | 20181008 |
Complexity: | 165 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 168.0394024 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 168.0394024 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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