2-Chloro-6-fluoro-3-methylphenylboronic Acid - CAS 352535-85-4
Catalog: |
BB022575 |
Product Name: |
2-Chloro-6-fluoro-3-methylphenylboronic Acid |
CAS: |
352535-85-4 |
Synonyms: |
(2-chloro-6-fluoro-3-methylphenyl)boronic acid; (2-chloro-6-fluoro-3-methylphenyl)boronic acid |
IUPAC Name: | (2-chloro-6-fluoro-3-methylphenyl)boronic acid |
Description: | 2-Chloro-6-fluoro-3-methylphenylboronic Acid (CAS# 352535-85-4) is a useful research chemical. |
Molecular Weight: | 188.39 |
Molecular Formula: | C7H7ClFO2B |
Canonical SMILES: | B(C1=C(C=CC(=C1Cl)C)F)(O)O |
InChI: | InChI=1S/C7H7BClFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3,11-12H,1H3 |
InChI Key: | FOZVMQJCNIKFOB-UHFFFAOYSA-N |
Boiling Point: | 321.5 °C at 760 mmHg |
Melting Point: | 150-154 °C (lit.) |
Density: | 1.35 g/cm3 |
MDL: | MFCD03701534 |
LogP: | 0.46730 |
Publication Number | Title | Priority Date |
CA-2837146-A1 | Benzocycloheptene acetic acids | 20110606 |
EP-2718264-A1 | Benzocycloheptene acetic acids | 20110606 |
EP-2718264-B1 | Benzocycloheptene acetic acids | 20110606 |
JP-2014522407-A | Benzocycloheptene acetic acid | 20110606 |
KR-20140041589-A | Benzocycloheptene acetic acid | 20110606 |
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: | 40.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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