5-Fluoro-3-formyl-2-methoxyphenylboronic acid - CAS 1072951-73-5
Catalog: |
BB002035 |
Product Name: |
5-Fluoro-3-formyl-2-methoxyphenylboronic acid |
CAS: |
1072951-73-5 |
Synonyms: |
(5-fluoro-3-formyl-2-methoxyphenyl)boronic acid |
IUPAC Name: | (5-fluoro-3-formyl-2-methoxyphenyl)boronic acid |
Description: | 5-Fluoro-3-formyl-2-methoxyphenylboronic acid (CAS# 1072951-73-5) is a useful research chemical. |
Molecular Weight: | 197.96 |
Molecular Formula: | C8H8BFO4 |
Canonical SMILES: | B(C1=CC(=CC(=C1OC)C=O)F)(O)O |
InChI: | InChI=1S/C8H8BFO4/c1-14-8-5(4-11)2-6(10)3-7(8)9(12)13/h2-4,12-13H,1H3 |
InChI Key: | NRUGZYHSZKKPJR-UHFFFAOYSA-N |
Purity: | 95 % |
Appearance: | White to tan solid |
MDL: | MFCD09265144 |
LogP: | -0.67340 |
GHS Hazard Statement: | H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264+P265, P280, P305+P351+P338, and P337+P317 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2012149693-A1 | Therapeutic compounds | 20090505 |
US-2015315127-A1 | Therapeutic compounds | 20090505 |
US-9024071-B2 | Therapeutic compounds | 20090505 |
Complexity: | 202 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 198.0499671 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 198.0499671 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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