| CAS Number | 2096340-08-6 |
| Catalog Number | AG01EHIC |
| Chemical Name | 4-(Benzyloxy)-3-chloro-5-fluorophenylboronic acid |
| IUPAC Name | (3-chloro-5-fluoro-4-phenylmethoxyphenyl)boronic acid |
| InChI | InChI=1S/C13H11BClFO3/c15-11-6-10(14(17)18)7-12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2 |
| InChI Key | XZMSEOVVBRATJN-UHFFFAOYSA-N |
| MDL Number | MFCD20441806 |
| Molecular Formula | C13H11BClFO3 |
| Molecular Weight | 280.4870 |
| SMILES | OB(C1=CC(F)=C(OCC2=CC=CC=C2)C(Cl)=C1)O |
| Synonyms | 4-(Benzyloxy)-3-chloro-5-fluorophenylboronic acid,
2096340-08-6,
4-Benzyloxy-3-chloro-5-fluorobenzeneboronic acid,
(4-(Benzyloxy)-3-chloro-5-fluorophenyl)boronic acid,
MFCD20441806,
ZINC169955342,
Y2636,
B-9418,
C13H11BClFO3,
N/A,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 280.047g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 280.486g/mol |
| Monoisotopic Mass | 280.047g/mol |
| Rotatable Bond Count | 4 |
| 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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