| CAS Number | 1036990-20-1 |
| Catalog Number | AG00QGJ3(AGN-PC-3H459F) |
| Chemical Name | 2-methoxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
| IUPAC Name | 2-methoxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide |
| InChI | InChI=1S/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)11-6-8-12(9-7-11)17-13(18)10-19-5/h6-9H,10H2,1-5H3,(H,17,18) |
| InChI Key | ONABTWRUMUAVAF-UHFFFAOYSA-N |
| MDL Number | MFCD22494280 |
| Molecular Formula | C15H22BNO4 |
| Molecular Weight | 291.1505 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)COC |
| Synonyms | 1036990-20-1,
SCHEMBL3323634,
ONABTWRUMUAVAF-UHFFFAOYSA-N,
AS-55382,
2-methoxy-N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide,
2-Methoxy-N-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-acetamide,
2-methoxy-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide,
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| Complexity | 362 |
| 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 | 4 |
| 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 | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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