| CAS Number | 2096341-48-7 |
| Catalog Number | AG01EHHQ |
| Chemical Name | 3-Chloro-5-fluoro-4-propoxyphenylboronic acid |
| IUPAC Name | (3-chloro-5-fluoro-4-propoxyphenyl)boronic acid |
| InChI | InChI=1S/C9H11BClFO3/c1-2-3-15-9-7(11)4-6(10(13)14)5-8(9)12/h4-5,13-14H,2-3H2,1H3 |
| InChI Key | QDMDQPSRPPTLBY-UHFFFAOYSA-N |
| MDL Number | MFCD20441801 |
| Molecular Formula | C9H11BClFO3 |
| Molecular Weight | 232.4442 |
| SMILES | OB(C1=CC(F)=C(OCCC)C(Cl)=C1)O |
| Synonyms | 3-Chloro-5-fluoro-4-propoxyphenylboronic acid,
2096341-48-7,
(3-chloro-5-fluoro-4-propoxyphenyl)boronic acid,
MFCD20441801,
AKOS027362715,
ZINC169955323,
Y2556,
B-9299,
C9H11BClFO3,
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| Complexity | 196 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.442g/mol |
| Monoisotopic Mass | 232.047g/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