| CAS Number | 1310384-23-6 |
| Catalog Number | AG000VDP(AGN-PC-0WNPN1) |
| Chemical Name | Boronic acid, B-(4-fluoro-3-formyl-5-methylphenyl)- |
| IUPAC Name | (4-fluoro-3-formyl-5-methylphenyl)boronic acid |
| InChI | InChI=1S/C8H8BFO3/c1-5-2-7(9(12)13)3-6(4-11)8(5)10/h2-4,12-13H,1H3 |
| InChI Key | CYTRJUULLDUDAX-UHFFFAOYSA-N |
| MDL Number | MFCD17169890 |
| Molecular Formula | C8H8BFO3 |
| Molecular Weight | 181.9567 |
| SMILES | CC1=C(F)C(C=O)=CC(B(O)O)=C1 |
| Synonyms | 1310384-23-6,
4-FLUORO-3-FORMYL-5-METHYLPHENYLBORONIC ACID,
(4-Fluoro-3-formyl-5-methylphenyl)boronic acid,
MFCD11111909,
AKOS006309581,
ZINC169748221,
BC001757,
ST24034693,
Z0064,
C-2278,
Boronic acid, B-(4-fluoro-3-formyl-5-methylphenyl)-,
4-fluoro-3-formyl-5-methylphenylboronic acid, AldrichCPR,
C8H8BFO3,
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| Complexity | 188 |
| 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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Certificate of Analysis
Lot Number