| CAS Number | 1256345-94-4 |
| Catalog Number | AG000O0L(AGN-PC-0WA5FM) |
| Chemical Name | 2-(T-Butylcarbamoyl)-4-methylphenylboronic acid |
| IUPAC Name | [2-(tert-butylcarbamoyl)-4-methylphenyl]boronic acid |
| InChI | InChI=1S/C12H18BNO3/c1-8-5-6-10(13(16)17)9(7-8)11(15)14-12(2,3)4/h5-7,16-17H,1-4H3,(H,14,15) |
| InChI Key | HHEYETCZZMBIQW-UHFFFAOYSA-N |
| MDL Number | MFCD16036110 |
| Molecular Formula | C12H18BNO3 |
| Molecular Weight | 235.0872 |
| SMILES | Cc1ccc(c(c1)C(=O)NC(C)(C)C)B(O)O |
| Synonyms | 1256345-94-4,
2-(T-BUTYLCARBAMOYL)-4-METHYLPHENYLBORONIC ACID,
2-(tert-butylcarbamoyl)-4-methylphenylboronic acid,
(2-(tert-Butylcarbamoyl)-4-methylphenyl)boronic acid,
[2-(tert-butylcarbamoyl)-4-methylphenyl]boronic acid,
ACMC-209aw9,
CTK4B4514,
DTXSID60681632,
ANW-18391,
MFCD16036110,
AKOS015838072,
ZINC169934176,
OR360845,
TR-035171,
X1841,
B-2850,
I04-2025,
Boronic acid, B-[2-[[(1,1-dimethylethyl)amino]carbonyl]-4-methylphenyl]-,
C12H18BNO3,
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| Complexity | 275 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.09g/mol |
| Monoisotopic Mass | 235.138g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number