| CAS Number | 1451392-04-3 |
| Catalog Number | AG00HXDO(AGN-PC-0WOA5D) |
| Chemical Name | 3-Chloro-5-fluoro-4-methoxyphenylboronic acid |
| IUPAC Name | (3-chloro-5-fluoro-4-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C7H7BClFO3/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,11-12H,1H3 |
| InChI Key | DGIMNBNEOUYRII-UHFFFAOYSA-N |
| MDL Number | MFCD13181625 |
| Molecular Formula | C7H7BClFO3 |
| Molecular Weight | 204.3911 |
| SMILES | B(c1cc(c(c(c1)Cl)OC)F)(O)O |
| Synonyms | 1451392-04-3,
3-Chloro-5-fluoro-4-methoxyphenylboronic acid,
(3-Chloro-5-fluoro-4-methoxyphenyl)boronic acid,
MFCD13181625,
AKOS022181738,
ZINC169955631,
BC001646,
Z1426,
Q-8062,
C7H7BClFO3,
(1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.388g/mol |
| Monoisotopic Mass | 204.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number