| CAS Number | 942610-02-8 |
| Catalog Number | AG01FTMI(AGN-PC-3H60D3) |
| Chemical Name | N-1-naphthalenyl-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-urea |
| IUPAC Name | 1-naphthalen-1-yl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C23H25BN2O3/c1-22(2)23(3,4)29-24(28-22)17-12-14-18(15-13-17)25-21(27)26-20-11-7-9-16-8-5-6-10-19(16)20/h5-15H,1-4H3,(H2,25,26,27) |
| InChI Key | GUSIZHPDHAVXFO-UHFFFAOYSA-N |
| MDL Number | MFCD31561362 |
| Molecular Formula | C23H25BN2O3 |
| Molecular Weight | 388.2672 |
| SMILES | O=C(N)N(C1=C2C=CC=CC2=CC=C1)C3=CC=C(B4OC(C)(C)C(C)(C)O4)C=C3 |
| Synonyms | (4-(3-(Naphthalen-1-yl)ureido)phenyl)boronic acid,
942610-02-8,
|
| Complexity | 573 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.195823g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.3g/mol |
| Monoisotopic Mass | 388.195823g/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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