| CAS Number | 819056-45-6 |
| Catalog Number | AG01FQ0F(AGN-PC-0UKYR0) |
| Chemical Name | 1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-(m-tolyl)urea |
| IUPAC Name | 1-(3-methylphenyl)-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea |
| InChI | InChI=1S/C20H25BN2O3/c1-14-8-6-10-16(12-14)22-18(24)23-17-11-7-9-15(13-17)21-25-19(2,3)20(4,5)26-21/h6-13H,1-5H3,(H2,22,23,24) |
| InChI Key | GBWHYXZCAAQLDK-UHFFFAOYSA-N |
| MDL Number | MFCD22570796 |
| Molecular Formula | C20H25BN2O3 |
| Molecular Weight | 352.2351 |
| SMILES | O=C(NC1=CC=CC(C)=C1)NC2=CC=CC(B3OC(C)(C)C(C)(C)O3)=C2 |
| Synonyms | SCHEMBL423849,
GBWHYXZCAAQLDK-UHFFFAOYSA-N,
AS-73025,
1-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3-m-tolylurea,
3-(3-methylphenyl)-1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea,
819056-45-6,
|
| Complexity | 495 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 352.195823g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 352.2g/mol |
| Monoisotopic Mass | 352.195823g/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