| CAS Number | 2096331-74-5 |
| Catalog Number | AG01DUCX |
| Chemical Name | 3-(2-Bromoacetamido)Phenylboronic Acid, Pinacol Ester |
| IUPAC Name | 2-bromo-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
| InChI | InChI=1S/C14H19BBrNO3/c1-13(2)14(3,4)20-15(19-13)10-6-5-7-11(8-10)17-12(18)9-16/h5-8H,9H2,1-4H3,(H,17,18) |
| InChI Key | UVTPWSKSUQJQOW-UHFFFAOYSA-N |
| MDL Number | MFCD18783180 |
| Molecular Formula | C14H19BBrNO3 |
| Molecular Weight | 340.0206 |
| SMILES | BrCC(=O)NC1=CC(=CC=C1)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 3-(2-Bromoacetamido)phenylboronic acid, pinacol ester,
2096331-74-5,
2-Bromo-N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetamide,
2-bromo-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide,
MFCD18783180,
ZINC169936706,
AS-55434,
A-3344,
A-3910,
N/A,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.024g/mol |
| Monoisotopic Mass | 339.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 47.6A^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