2-Chloro-4-fluoro-6-methylphenylboronic Acid - CAS 2121514-96-1
Catalog: |
BB068836 |
Product Name: |
2-Chloro-4-fluoro-6-methylphenylboronic Acid |
CAS: |
2121514-96-1 |
Synonyms: |
B- (2-Chloro- 4- fluoro- 6- methylphenyl) -boronic Acid |
IUPAC Name: | (2-chloro-4-fluoro-6-methylphenyl)boronic acid |
Description: | 2-Chloro-4-fluoro-6-methylphenylboronic Acid is a derivative of (4-Chloro-2-fluoro-3-methylphenyl)boronic Acid(C584580), which can be used as FLAP modulators to make pharmaceutical compounds. |
Molecular Weight: | 188.39 |
Molecular Formula: | C7H7BO2FCl |
Canonical SMILES: | B(C1=C(C=C(C=C1C)F)Cl)(O)O |
InChI: | InChI=1S/C7H7BClFO2/c1-4-2-5(10)3-6(9)7(4)8(11)12/h2-3,11-12H,1H3 |
InChI Key: | ARMLKDUBBGCOGL-UHFFFAOYSA-N |
References: | Bacani, G.M., et.al. PCT Int. Appl., 945, (2014). |
Complexity: | 158 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 188.0211655 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 188.0211655 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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