| CAS Number | 2121513-76-4 |
| Catalog Number | AG01EHNR |
| Chemical Name | 3-Chloro-5-fluoro-2-methoxyphenylboronic acid |
| IUPAC Name | (3-chloro-5-fluoro-2-methoxyphenyl)boronic acid |
| InChI | InChI=1S/C7H7BClFO3/c1-13-7-5(8(11)12)2-4(10)3-6(7)9/h2-3,11-12H,1H3 |
| InChI Key | FJDLPAVBXZISKS-UHFFFAOYSA-N |
| MDL Number | MFCD22414927 |
| Molecular Formula | C7H7BClFO3 |
| Molecular Weight | 204.3911 |
| SMILES | OB(C1=CC(F)=CC(Cl)=C1OC)O |
| Synonyms | 3-Chloro-5-fluoro-2-methoxyphenylboronic acid,
2121513-76-4,
(3-CHLORO-5-FLUORO-2-METHOXYPHENYL)BORONIC ACID,
KM3685,
ZINC170002466,
Y2554,
C7H7BClFO3,
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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