| CAS Number | 1510828-68-8 |
| Catalog Number | AG00HXUD |
| Chemical Name | 2-Fluoro-4-methyl-5-nitrophenylboronic acid, pinacol ester |
| IUPAC Name | 2-(2-fluoro-4-methyl-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C13H17BFNO4/c1-8-6-10(15)9(7-11(8)16(17)18)14-19-12(2,3)13(4,5)20-14/h6-7H,1-5H3 |
| InChI Key | VJFYRTJYOVWHNP-UHFFFAOYSA-N |
| MDL Number | MFCD22586691 |
| Molecular Formula | C13H17BFNO4 |
| Molecular Weight | 281.0878 |
| SMILES | CC1=C(C=C(B2OC(C)(C)C(C)(C)O2)C(F)=C1)[N+]([O-])=O |
| Synonyms | 1510828-68-8,
(2-Fluoro-4-methyl-5-nitrophenyl)boronic acid pinacol ester,
2-(2-FLUORO-4-METHYL-5-NITROPHENYL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE,
2-Fluoro-4-methyl-5-nitrophenylboronic acid, pinacol ester,
KM4123,
MFCD22586691,
AKOS027250977,
ZINC170008678,
AS-43193,
2-Fluoro-4-methyl-5-nitrophenylboronic acid pinacol ester,
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| Complexity | 382 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 281.123g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 281.09g/mol |
| Monoisotopic Mass | 281.123g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 64.3A^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