2-Fluoro-3-methoxycarbonylphenylboronic acid - CAS 1315476-07-3
Catalog: |
BB065051 |
Product Name: |
2-Fluoro-3-methoxycarbonylphenylboronic acid |
CAS: |
1315476-07-3 |
Synonyms: |
(2-Fluoro-3-(methoxycarbonyl)phenyl)boronic acid; 2-Fluoro-3-(methoxycarbonyl)phenylboronic acid; [2-FLUORO-3-(METHOXYCARBONYL)PHENYL]BORONIC ACID; (2-fluoro-3-methoxycarbonylphenyl)boronic acid; 2-Fluoro-3-methoxycarbonylphenylboronic acid; Benzoic acid, 3-borono-2-fluoro-, 1-methyl ester; [2-Fluoro 3-(Methoxycarbonyl)Phenyl]Boronic acid |
IUPAC Name: | (2-fluoro-3-methoxycarbonylphenyl)boronic acid |
Description: | 2-Fluoro-3-methoxycarbonylphenylboronic acid |
Molecular Weight: | 197.96 |
Molecular Formula: | C8H8BFO4 |
Canonical SMILES: | B(C1=C(C(=CC=C1)C(=O)OC)F)(O)O |
InChI: | InChI=1S/C8H8BFO4/c1-14-8(11)5-3-2-4-6(7(5)10)9(12)13/h2-4,12-13H,1H3 |
InChI Key: | ZWNQFICBQZRXEB-UHFFFAOYSA-N |
Melting Point: | 106-107°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | White to Off-White Solid |
Storage: | -20°C |
Complexity: | 212 |
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: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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