| CAS Number | 1256345-57-9 |
| Catalog Number | AG000O08(AGN-PC-0WA6DK) |
| Chemical Name | 2-Chloro-3-ethoxyphenylboronic acid |
| IUPAC Name | (2-chloro-3-ethoxyphenyl)boronic acid |
| InChI | InChI=1S/C8H10BClO3/c1-2-13-7-5-3-4-6(8(7)10)9(11)12/h3-5,11-12H,2H2,1H3 |
| InChI Key | LEKFCKITYLGIAS-UHFFFAOYSA-N |
| MDL Number | MFCD17015726 |
| Molecular Formula | C8H10BClO3 |
| Molecular Weight | 200.4272 |
| SMILES | CCOc1cccc(c1Cl)B(O)O |
| Synonyms | 2-CHLORO-3-ETHOXYPHENYLBORONIC ACID,
1256345-57-9,
(2-Chloro-3-ethoxyphenyl)boronic acid,
ACMC-209avb,
SCHEMBL14120757,
CTK4B4477,
DTXSID00681530,
ANW-18357,
MFCD17015726,
AKOS015850231,
ZINC169933849,
FCH1351941,
OR360929,
TR-035135,
X1807,
Boronic acid, B-(2-chloro-3-ethoxyphenyl)-,
B-2491,
I04-2536,
C8H10BClO3,
|
| Complexity | 156 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.425g/mol |
| Monoisotopic Mass | 200.041g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7A^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