| CAS Number | 1448987-84-5 |
| Catalog Number | AG00U5LM(AGN-PC-3H4G4C) |
| Chemical Name | 3-ethyl-1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-ethyl-3-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C15H22BFN2O3/c1-6-18-13(20)19-12-8-7-10(9-11(12)17)16-21-14(2,3)15(4,5)22-16/h7-9H,6H2,1-5H3,(H2,18,19,20) |
| InChI Key | UIEHVDUTOMHSRK-UHFFFAOYSA-N |
| MDL Number | MFCD32206430 |
| Molecular Formula | C15H22BFN2O3 |
| Molecular Weight | 308.1562 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1F)NCC |
| Synonyms | SCHEMBL15141616,
UIEHVDUTOMHSRK-UHFFFAOYSA-N,
AS-72635,
1-ethyl-3-[2-fluoro-4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)phenyl]urea,
3-ethyl-1-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
1448987-84-5,
|
| Complexity | 404 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 308.170751g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 308.16g/mol |
| Monoisotopic Mass | 308.170751g/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
Lot Number