3-Fluoro-2-methylphenylboronic Acid - CAS 163517-61-1
Catalog: |
BB012006 |
Product Name: |
3-Fluoro-2-methylphenylboronic Acid |
CAS: |
163517-61-1 |
Synonyms: |
(3-fluoro-2-methylphenyl)boronic acid; (3-fluoro-2-methylphenyl)boronic acid |
IUPAC Name: | (3-fluoro-2-methylphenyl)boronic acid |
Description: | 3-Fluoro-2-methylphenylboronic Acid (CAS# 163517-61-1) is a useful research chemical. |
Molecular Weight: | 153.95 |
Molecular Formula: | C7H8FO2B |
Canonical SMILES: | B(C1=C(C(=CC=C1)F)C)(O)O |
InChI: | InChI=1S/C7H8BFO2/c1-5-6(8(10)11)3-2-4-7(5)9/h2-4,10-11H,1H3 |
InChI Key: | NYBIUWJUWTUGFV-UHFFFAOYSA-N |
Boiling Point: | 286.8 °C at 760 mmHg |
Density: | 1.2 g/cm3 |
MDL: | MFCD07368679 |
LogP: | -0.18610 |
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 |
US-2021269434-A1 | Tricyclic compounds as inhibitors of kras | 20200110 |
WO-2021041671-A1 | Kras g12d inhibitors | 20190829 |
WO-2020223255-A1 | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 20190429 |
TW-202106669-A | 3-amino-4h-benzo[e][1,2,4]thiadiazine 1,1-dioxide derivatives as inhibitors of mrgx2 | 20190429 |
US-2020270246-A1 | Imidazopyridinyl compounds and use thereof for treatment of neurodegenerative disorders | 20190222 |
Complexity: | 132 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.0601378 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.0601378 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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