| CAS Number | 874301-80-1 |
| Catalog Number | AG01FNSA(AGN-PC-3H4BI2) |
| Chemical Name | 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(thiophen-2-ylmethyl)urea |
| IUPAC Name | 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-(thiophen-2-ylmethyl)urea |
| InChI | InChI=1S/C18H23BN2O3S/c1-17(2)18(3,4)24-19(23-17)13-7-5-8-14(11-13)21-16(22)20-12-15-9-6-10-25-15/h5-11H,12H2,1-4H3,(H2,20,21,22) |
| InChI Key | JKBPSQFWCRAJBH-UHFFFAOYSA-N |
| MDL Number | MFCD32206522 |
| Molecular Formula | C18H23BN2O3S |
| Molecular Weight | 358.2628 |
| SMILES | O=C(NCC1=CC=CS1)NC2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2 |
| Synonyms | AS-74070,
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-3-[(thiophen-2-yl)methyl]urea,
874301-80-1,
|
| Complexity | 473 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 358.152244g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 358.3g/mol |
| Monoisotopic Mass | 358.152244g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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