| CAS Number | 2096333-18-3 |
| Catalog Number | AG01EHGV |
| Chemical Name | 3-Chloro-4-methoxy-5-propoxyphenylboronic acid |
| IUPAC Name | (3-chloro-4-methoxy-5-propoxyphenyl)boronic acid |
| InChI | InChI=1S/C10H14BClO4/c1-3-4-16-9-6-7(11(13)14)5-8(12)10(9)15-2/h5-6,13-14H,3-4H2,1-2H3 |
| InChI Key | VFNJGIWAFRIWFF-UHFFFAOYSA-N |
| MDL Number | MFCD20529445 |
| Molecular Formula | C10H14BClO4 |
| Molecular Weight | 244.4798 |
| SMILES | CCCOc1cc(cc(c1OC)Cl)B(O)O |
| Synonyms | 3-Chloro-4-methoxy-5-propoxyphenylboronic acid,
2096333-18-3,
(3-chloro-4-methoxy-5-propoxyphenyl)boronic acid,
MFCD20529445,
ZINC169955436,
Y2545,
B-9475,
C10H14BClO4,
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| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.478g/mol |
| Monoisotopic Mass | 244.067g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 58.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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