| CAS Number | 681292-77-3 |
| Catalog Number | AG005MNY(AGN-PC-09PZ0R) |
| Chemical Name | 4-Chloro-3-propoxyphenylboronic acid |
| IUPAC Name | (4-chloro-3-propoxyphenyl)boronic acid |
| InChI | InChI=1S/C9H12BClO3/c1-2-5-14-9-6-7(10(12)13)3-4-8(9)11/h3-4,6,12-13H,2,5H2,1H3 |
| InChI Key | SKFGRQLMEUDMLM-UHFFFAOYSA-N |
| MDL Number | MFCD17015745 |
| Molecular Formula | C9H12BClO3 |
| Molecular Weight | 214.4538 |
| SMILES | CCCOc1cc(ccc1Cl)B(O)O |
| Synonyms | 681292-77-3,
(4-Chloro-3-propoxyphenyl)boronic acid,
4-CHLORO-3-PROPOXYPHENYLBORONIC ACID,
ACMC-209o22,
SCHEMBL4881084,
CTK5C7356,
DTXSID40681670,
SKFGRQLMEUDMLM-UHFFFAOYSA-N,
ANW-35448,
MFCD17015745,
AKOS015850019,
ZINC169934350,
(4-chloro-3-propoxy-phenyl)boronic acid,
OR360553,
AX8236270,
TR-037475,
X0937,
B-8269,
I04-2491,
C9H12BClO3,
(4-Chloro-3-propoxyphenyl)boronicacid,
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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