| CAS Number | 2096334-34-6 |
| Catalog Number | AG01EHE2 |
| Chemical Name | 4,5-Difluoro-2-(methoxycarbonyl)phenylboronic acid |
| IUPAC Name | (4,5-difluoro-2-methoxycarbonylphenyl)boronic acid |
| InChI | InChI=1S/C8H7BF2O4/c1-15-8(12)4-2-6(10)7(11)3-5(4)9(13)14/h2-3,13-14H,1H3 |
| InChI Key | FKBKLXXNCMSJMQ-UHFFFAOYSA-N |
| MDL Number | MFCD21609555 |
| Molecular Formula | C8H7BF2O4 |
| Molecular Weight | 215.9466 |
| SMILES | COC(C1=C(B(O)O)C=C(F)C(F)=C1)=O |
| Synonyms | 4,5-DIFLUORO-2-(METHOXYCARBONYL)PHENYLBORONIC ACID,
2096334-34-6,
(4,5-Difluoro-2-(methoxycarbonyl)phenyl)boronic acid,
KM3778,
MFCD21609555,
ZINC169964854,
Y2686,
C8H7BF2O4,
|
| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.947g/mol |
| Monoisotopic Mass | 216.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number