| CAS Number | 949892-09-5 |
| Catalog Number | AG00IIO5(AGN-PC-0WRAF9) |
| Chemical Name | (5-Chloro-4-fluoro-2-methoxyphenyl)boronic acid |
| IUPAC Name | (5-chloro-4-fluoro-2-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C7H7BClFO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3,11-12H,1H3 |
| InChI Key | MROIVWKVBXFEMP-UHFFFAOYSA-N |
| MDL Number | MFCD23379570 |
| Molecular Formula | C7H7BClFO3 |
| Molecular Weight | 204.3911 |
| SMILES | COC1=C(B(O)O)C=C(Cl)C(F)=C1 |
| Synonyms | (5-chloro-4-fluoro-2-methoxyphenyl)boronic acid,
949892-09-5,
5-Chloro-4-fluoro-2-methoxyphenylboronic acid,
SCHEMBL4130197,
MROIVWKVBXFEMP-UHFFFAOYSA-N,
ZINC170001111,
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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
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