| CAS Number | 1315476-05-1 |
| Catalog Number | AG00HSKM(AGN-PC-0WG3NX) |
| Chemical Name | (5-Chloro-2-[(2,2-dimethylpropoxy)carbonyl]phenyl)boronic acid |
| IUPAC Name | [5-chloro-2-(2,2-dimethylpropoxycarbonyl)phenyl]boronic acid |
| InChI | InChI=1S/C12H16BClO4/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 | YTWKNWCOCNXTEX-UHFFFAOYSA-N |
| MDL Number | MFCD01631848 |
| Molecular Formula | C12H16BClO4 |
| Molecular Weight | 270.5170 |
| SMILES | CC(C)(C)COC(=O)C1=C(C=C(Cl)C=C1)B(O)O |
| Synonyms | 1315476-05-1,
5-CHLORO-2-(NEOPENTYLOXYCARBONYL)PHENYLBORONIC ACID,
(5-CHLORO-2-[(2,2-DIMETHYLPROPOXY)CARBONYL]PHENYL)BORONIC ACID,
(5-Chloro-2-((neopentyloxy)carbonyl)phenyl)boronic acid,
SCHEMBL2557738,
CTK6G7405,
AR1088,
MFCD01631848,
ZINC197980713,
AB09395,
AM805285,
AS-45020,
[5-chloro-2-(2,2-dimethylpropoxycarbonyl)phenyl]boronic acid,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.516g/mol |
| Monoisotopic Mass | 270.083g/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
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number