| CAS Number | 1256355-03-9 |
| Catalog Number | AG000O2R(AGN-PC-0WAA8I) |
| Chemical Name | 4-Chloro-2-propoxyphenylboronic acid |
| IUPAC Name | (4-chloro-2-propoxyphenyl)boronic acid |
| InChI | InChI=1S/C9H12BClO3/c1-2-5-14-9-6-7(11)3-4-8(9)10(12)13/h3-4,6,12-13H,2,5H2,1H3 |
| InChI Key | UATQYHKYIPALSU-UHFFFAOYSA-N |
| MDL Number | MFCD17015769 |
| Molecular Formula | C9H12BClO3 |
| Molecular Weight | 214.4538 |
| SMILES | CCCOC1=C(C=CC(Cl)=C1)B(O)O |
| Synonyms | 1256355-03-9,
(4-Chloro-2-propoxyphenyl)boronic acid,
4-CHLORO-2-PROPOXYPHENYLBORONIC ACID,
ACMC-209axy,
CTK4B4577,
DTXSID90681706,
ANW-18452,
MFCD17015769,
AKOS015850143,
ZINC169934537,
OR360533,
AX8236169,
TR-035235,
X1899,
Boronic acid, B-(4-chloro-2-propoxyphenyl)-,
B-2750,
I04-2545,
C9H12BClO3,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.452g/mol |
| Monoisotopic Mass | 214.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 49.7A^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