| CAS Number | 1309980-79-7 |
| Catalog Number | AG00HSBK(AGN-PC-0WNQME) |
| Chemical Name | (5-Bromo-2-[(2,2-dimethylpropoxy)carbonyl]phenyl)boronic acid |
| IUPAC Name | [5-bromo-2-(2,2-dimethylpropoxycarbonyl)phenyl]boronic acid |
| InChI | InChI=1S/C12H16BBrO4/c1-12(2,3)7-18-11(15)9-5-4-8(14)6-10(9)13(16)17/h4-6,16-17H,7H2,1-3H3 |
| InChI Key | PFQQZEMAZQNSCZ-UHFFFAOYSA-N |
| MDL Number | MFCD01631844 |
| Molecular Formula | C12H16BBrO4 |
| Molecular Weight | 314.9680 |
| SMILES | CC(C)(C)COC(=O)C1=C(C=C(Br)C=C1)B(O)O |
| Synonyms | 1309980-79-7,
5-BROMO-2-(NEOPENTYLOXYCARBONYL)PHENYLBORONIC ACID,
(5-BROMO-2-[(2,2-DIMETHYLPROPOXY)CARBONYL]PHENYL)BORONIC ACID,
(5-Bromo-2-((neopentyloxy)carbonyl)phenyl)boronic acid,
CTK5I6599,
AR1082,
MFCD01631844,
ZINC197980700,
AB09390,
AS-45018,
X-2379,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 314.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.97g/mol |
| Monoisotopic Mass | 314.033g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number