| CAS Number | 89787-13-3 |
| Catalog Number | AG003YHE(AGN-PC-03LFUA) |
| Chemical Name | (2-(Tert-Butyl)Phenyl)Boronic Acid |
| IUPAC Name | (2-tert-butylphenyl)boronic acid |
| InChI | InChI=1S/C10H15BO2/c1-10(2,3)8-6-4-5-7-9(8)11(12)13/h4-7,12-13H,1-3H3 |
| InChI Key | LXLMKMLQQJSOCB-UHFFFAOYSA-N |
| MDL Number | MFCD20282773 |
| Molecular Formula | C10H15BO2 |
| Molecular Weight | 178.0359 |
| SMILES | C(C)(C)(C)C1=C(C=CC=C1)B(O)O |
| Synonyms | 89787-13-3,
(2-tert-butylphenyl)boronic acid,
(2-(tert-butyl)phenyl)boronic acid,
Boronic acid, [2-(1,1-dimethylethyl)phenyl]-,
ACMC-20lqfn,
SCHEMBL26450,
Tert-butyl benzeneboronic acid,
2-tert-butylphenylboronic acid,
CTK2J0399,
DTXSID40623217,
LXLMKMLQQJSOCB-UHFFFAOYSA-N,
AKOS013582355,
ZINC169966530,
D-1796,
Boronic acid, B-[2-(1,1-dimethylethyl)phenyl]-,
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| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.117g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.038g/mol |
| Monoisotopic Mass | 178.117g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^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