| CAS Number | 1256346-36-7 |
| Catalog Number | AG000O2C(AGN-PC-0WA8CY) |
| Chemical Name | 3-Butoxy-4-chlorophenylboronic acid |
| IUPAC Name | (3-butoxy-4-chlorophenyl)boronic acid |
| InChI | InChI=1S/C10H14BClO3/c1-2-3-6-15-10-7-8(11(13)14)4-5-9(10)12/h4-5,7,13-14H,2-3,6H2,1H3 |
| InChI Key | CCCPSNXXLWLQHQ-UHFFFAOYSA-N |
| MDL Number | MFCD16660284 |
| Molecular Formula | C10H14BClO3 |
| Molecular Weight | 228.4804 |
| SMILES | CCCCOc1cc(ccc1Cl)B(O)O |
| Synonyms | 1256346-36-7,
(3-Butoxy-4-chlorophenyl)boronic acid,
3-BUTOXY-4-CHLOROPHENYLBORONIC ACID,
ACMC-209ax9,
CTK4B4550,
DTXSID60681672,
ANW-18427,
MFCD16660284,
AKOS015839757,
ZINC169934355,
OR360523,
AX8236157,
TR-035207,
X1873,
Boronic acid, B-(3-butoxy-4-chlorophenyl)-,
B-2441,
I04-2242,
C10H14BClO3,
(3-Butoxy-4-chlorophenyl)boronicacid,
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| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.479g/mol |
| Monoisotopic Mass | 228.072g/mol |
| Rotatable Bond Count | 5 |
| 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