4-Cyano-2-fluorophenylboronic Acid - CAS 1150114-77-4
Catalog: |
BB003461 |
Product Name: |
4-Cyano-2-fluorophenylboronic Acid |
CAS: |
1150114-77-4 |
Synonyms: |
(4-cyano-2-fluorophenyl)boronic acid; (4-cyano-2-fluorophenyl)boronic acid |
IUPAC Name: | (4-cyano-2-fluorophenyl)boronic acid |
Description: | 4-Cyano-2-fluorophenylboronic Acid (CAS# 1150114-77-4) is a useful research chemical. |
Molecular Weight: | 164.93 |
Molecular Formula: | C7H5FNO2B |
Canonical SMILES: | B(C1=C(C=C(C=C1)C#N)F)(O)O |
InChI: | InChI=1S/C7H5BFNO2/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,11-12H |
InChI Key: | HFAUMAIVCYTVQR-UHFFFAOYSA-N |
Appearance: | Solid |
Storage: | Sealed in dry, 2-8 °C |
LogP: | -0.62282 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021203023-A1 | Indole derivatives as alpha-1 -antitrypsin modulators for treating alpha-1 -antitrypsin deficiency (aatd) | 20200403 |
WO-2021158498-A1 | Tricyclic heteroaryl compounds useful as irak4 inhibitors | 20200203 |
WO-2021074281-A1 | Substituted azacyles as trmp8 modulators | 20191017 |
KR-20210024923-A | Compound and organic light emitting device comprising the same | 20190826 |
EP-3613744-A1 | Organic molecules for optoelectronic devices | 20180821 |
Complexity: | 203 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 165.0397367 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 165.0397367 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 64.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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