| CAS Number | 1256388-92-7 |
| Catalog Number | AG00HID2(AGN-PC-0WP1NI) |
| Chemical Name | Methyl 3-(bromomethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| IUPAC Name | methyl 3-(bromomethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C15H20BBrO4/c1-14(2)15(3,4)21-16(20-14)12-7-6-10(13(18)19-5)8-11(12)9-17/h6-8H,9H2,1-5H3 |
| InChI Key | IIIKWJORPDUKAI-UHFFFAOYSA-N |
| MDL Number | MFCD18383438 |
| Molecular Formula | C15H20BBrO4 |
| Molecular Weight | 355.0319 |
| SMILES | BrCC=1C=C(C(=O)OC)C=CC1B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1256388-92-7,
methyl 3-(bromomethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
SCHEMBL204977,
IIIKWJORPDUKAI-UHFFFAOYSA-N,
AKOS027349757,
ZINC201647835,
2-Bromomethyl-4-methoxycarbonylphenylboronic acid, pinacol ester,
3-Bromomethyl-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester,
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| Complexity | 383 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 354.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 355.035g/mol |
| Monoisotopic Mass | 354.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 44.8A^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