| CAS Number | 1350989-93-3 |
| Catalog Number | AG009X1B(AGN-PC-0WA61Z) |
| Chemical Name | 2-Amino-4-ethoxycarbonylphenylboronic acid, pinacol ester |
| IUPAC Name | ethyl 3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate |
| InChI | InChI=1S/C15H22BNO4/c1-6-19-13(18)10-7-8-11(12(17)9-10)16-20-14(2,3)15(4,5)21-16/h7-9H,6,17H2,1-5H3 |
| InChI Key | FVDWZYDAKIIASA-UHFFFAOYSA-N |
| MDL Number | MFCD22192537 |
| Molecular Formula | C15H22BNO4 |
| Molecular Weight | 291.1505 |
| SMILES | CCOC(=O)c1ccc(c(c1)N)B1OC(C(O1)(C)C)(C)C |
| Synonyms | 1350989-93-3,
2-AMINO-4-ETHOXYCARBONYLPHENYLBORONIC ACID, PINACOL ESTER,
Ethyl 3-amino-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate,
MFCD22192537,
AKOS025293756,
ZINC169978501,
OR360643,
2-Amino-4-ethoxycarbonylphenylboronic acid,pinacol 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 | 291.164g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 291.154g/mol |
| Monoisotopic Mass | 291.164g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number