| CAS Number | 870778-95-3 |
| Catalog Number | AG003IT8(AGN-PC-0WA7YM) |
| Chemical Name | (3-Acetyl-2-Fluorophenyl)Boronic Acid |
| IUPAC Name | (3-acetyl-2-fluorophenyl)boronic acid |
| InChI | InChI=1S/C8H8BFO3/c1-5(11)6-3-2-4-7(8(6)10)9(12)13/h2-4,12-13H,1H3 |
| InChI Key | SEMRLZGDJZRZMC-UHFFFAOYSA-N |
| MDL Number | MFCD07369741 |
| Molecular Formula | C8H8BFO3 |
| Molecular Weight | 181.9567 |
| SMILES | FC1=C(C(C)=O)C=CC=C1B(O)O |
| Synonyms | 3-Acetyl-2-fluorophenylboronic acid,
870778-95-3,
(3-Acetyl-2-fluorophenyl)boronic acid,
ACMC-209qe8,
SCHEMBL1066809,
CTK5F7746,
DTXSID30584641,
SEMRLZGDJZRZMC-UHFFFAOYSA-N,
ANW-38478,
MFCD07369741,
AKOS015837536,
ZINC169877257,
AB32202,
FCH1119785,
RTR-027136,
PC412214,
AX8261417,
X2564,
A-3651,
I04-1983,
C8H8BFO3,
|
| Complexity | 198 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.957g/mol |
| Monoisotopic Mass | 182.055g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number