| CAS Number | 2096997-05-4 |
| Catalog Number | AG01EHG1 |
| Chemical Name | 1-(4-Methoxy-2-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| IUPAC Name | 1-(4-methoxy-2-methylphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C21H27BN2O4/c1-14-12-17(26-6)10-11-18(14)24-19(25)23-16-9-7-8-15(13-16)22-27-20(2,3)21(4,5)28-22/h7-13H,1-6H3,(H2,23,24,25) |
| InChI Key | NKGHZLWEDRHUDJ-UHFFFAOYSA-N |
| MDL Number | MFCD20231480 |
| Molecular Formula | C21H27BN2O4 |
| Molecular Weight | 382.2611 |
| SMILES | O=C(NC1=CC=CC(B2OC(C)(C)C(C)(C)O2)=C1)NC3=CC=C(OC)C=C3C |
| Synonyms | 1-(4-Methoxy-2-methylphenyl)-3-[3-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
2096997-05-4,
1-(4-Methoxy-2-methylphenyl)-3-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea,
MFCD20231480,
ZINC169955944,
W2844,
B-9766,
C21H27BN2O4,
|
| Complexity | 541 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.206g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 382.267g/mol |
| Monoisotopic Mass | 382.206g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| 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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