4-Methoxycarbonyl-2,6-difluorophenylboronic acid - CAS 2022984-58-1
Catalog: |
BB059343 |
Product Name: |
4-Methoxycarbonyl-2,6-difluorophenylboronic acid |
CAS: |
2022984-58-1 |
Synonyms: |
4-METHOXYCARBONYL-2,6-DIFLUOROPHENYLBORONIC ACID; (2,6-difluoro-4-methoxycarbonylphenyl)boronic acid; [2,6-difluoro-4-(methoxycarbonyl)phenyl]boronic acid |
IUPAC Name: | (2,6-difluoro-4-methoxycarbonylphenyl)boronic acid |
Description: | 4-Methoxycarbonyl-2,6-difluorophenylboronic acid |
Molecular Weight: | 215.95 |
Molecular Formula: | C8H7BF2O4 |
Canonical SMILES: | B(C1=C(C=C(C=C1F)C(=O)OC)F)(O)O |
InChI: | InChI=1S/C8H7BF2O4/c1-15-8(12)4-2-5(10)7(9(13)14)6(11)3-4/h2-3,13-14H,1H3 |
InChI Key: | UAQVWIOVTATRBS-UHFFFAOYSA-N |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 227 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.0405452 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.0405452 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 66.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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