| CAS Number | 854074-34-3 |
| Catalog Number | AG00RNL9(AGN-PC-0V0HVI) |
| Chemical Name | 3-ethyl-1-[2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-ethyl-3-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C16H25BN2O3/c1-7-18-14(20)19-13-9-8-12(10-11(13)2)17-21-15(3,4)16(5,6)22-17/h8-10H,7H2,1-6H3,(H2,18,19,20) |
| InChI Key | FIDDYABFBXFNKA-UHFFFAOYSA-N |
| MDL Number | MFCD22494420 |
| Molecular Formula | C16H25BN2O3 |
| Molecular Weight | 304.1923 |
| SMILES | C(C)NC(NC1=C(C=C(C=C1)B1OC(C(O1)(C)C)(C)C)C)=O |
| Synonyms | 854074-34-3,
SCHEMBL12107159,
AS-72634,
A1-10150,
3-Ethyl-1-[2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
3-ethyl-1-[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
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| Complexity | 398 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 304.195823g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.2g/mol |
| Monoisotopic Mass | 304.195823g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 59.6Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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