| CAS Number | 1669414-60-1 |
| Catalog Number | AG01FRHH(AGN-PC-3H5PM9) |
| Chemical Name | Urea, N-(3-methoxyphenyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- |
| IUPAC Name | 1-(3-methoxyphenyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C20H25BN2O4/c1-19(2)20(3,4)27-21(26-19)14-9-11-15(12-10-14)22-18(24)23-16-7-6-8-17(13-16)25-5/h6-13H,1-5H3,(H2,22,23,24) |
| InChI Key | RSJQOEJQEDHWOO-UHFFFAOYSA-N |
| MDL Number | MFCD32206527 |
| Molecular Formula | C20H25BN2O4 |
| Molecular Weight | 368.2345 |
| SMILES | O=C(NC1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)NC3=CC=CC(OC)=C3 |
| Synonyms | AS-74076,
3-(3-methoxyphenyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
1669414-60-1,
|
| Complexity | 504 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.190738g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.2g/mol |
| Monoisotopic Mass | 368.190738g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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