| CAS Number | 874299-04-4 |
| Catalog Number | AG00IEKM(AGN-PC-0WQWVA) |
| Chemical Name | N-Ethyl-N'-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-ethyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C15H23BN2O3/c1-6-17-13(19)18-12-9-7-8-11(10-12)16-20-14(2,3)15(4,5)21-16/h7-10H,6H2,1-5H3,(H2,17,18,19) |
| InChI Key | BMLUAYGXOFETNN-UHFFFAOYSA-N |
| MDL Number | MFCD22572021 |
| Molecular Formula | C15H23BN2O3 |
| Molecular Weight | 290.1657 |
| SMILES | CC(C(C)(C)O1)(C)OB1C2=CC(NC(NCC)=O)=CC=C2 |
| Synonyms | SCHEMBL3322268,
BMLUAYGXOFETNN-UHFFFAOYSA-N,
AS-72484,
3-ethyl-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
1-Ethyl-3-[3-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-phenyl]-urea,
874299-04-4,
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| Complexity | 371 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 290.180173g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 290.17g/mol |
| Monoisotopic Mass | 290.180173g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6Ų |
| 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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