| CAS Number | 874299-16-8 |
| Catalog Number | AG01DTQN |
| Chemical Name | 3-[(furan-2-yl)methyl]-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-(furan-2-ylmethyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C18H23BN2O4/c1-17(2)18(3,4)25-19(24-17)13-7-5-8-14(11-13)21-16(22)20-12-15-9-6-10-23-15/h5-11H,12H2,1-4H3,(H2,20,21,22) |
| InChI Key | ODMTZBFGNYBFMZ-UHFFFAOYSA-N |
| MDL Number | MFCD31916427 |
| Molecular Formula | C18H23BN2O4 |
| Molecular Weight | 342.1972 |
| SMILES | CC(O1)(C)C(C)(C)OB1C2=CC(NC(NCC3=CC=CO3)=O)=CC=C2 |
| Synonyms | 874299-16-8,
AS-55424,
1-(furan-2-ylmethyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea,
3-[(furan-2-yl)methyl]-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
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| Complexity | 470 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 342.175g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 342.202g/mol |
| Monoisotopic Mass | 342.175g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.7A^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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