| CAS Number | 1626407-50-8 |
| Catalog Number | AG00HYRX(AGN-PC-0WAY2E) |
| Chemical Name | Methyl 4-(bromomethyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| IUPAC Name | methyl 4-(bromomethyl)-3-(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)12-8-10(13(18)19-5)6-7-11(12)9-17/h6-8H,9H2,1-5H3 |
| InChI Key | IZFIPFIGKZZNHR-UHFFFAOYSA-N |
| MDL Number | MFCD27924237 |
| Molecular Formula | C15H20BBrO4 |
| Molecular Weight | 355.0319 |
| SMILES | COC(=O)c1ccc(CBr)c(c1)B2OC(C)(C)C(C)(C)O2 |
| Synonyms | 1626407-50-8,
Methyl 4-(bromomethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
methyl 4-(bromomethyl)-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
AMTB757,
SCHEMBL16077601,
IZFIPFIGKZZNHR-UHFFFAOYSA-N,
KS-000022GO,
MFCD27924237,
AKOS030245843,
ZINC169808014,
AS-2750,
OR310398,
C15H20BBrO4,
|
| 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
Certificate of Analysis
Lot Number