| CAS Number | 1256346-27-6 |
| Catalog Number | AG000O18(AGN-PC-0WA841) |
| Chemical Name | 3-Benzyloxy-4-chloro-2-fluorophenylboronic acid |
| IUPAC Name | (4-chloro-2-fluoro-3-phenylmethoxyphenyl)boronic acid |
| InChI | InChI=1S/C13H11BClFO3/c15-11-7-6-10(14(17)18)12(16)13(11)19-8-9-4-2-1-3-5-9/h1-7,17-18H,8H2 |
| InChI Key | IPWQADAZCFOAPG-UHFFFAOYSA-N |
| MDL Number | MFCD17015743 |
| Molecular Formula | C13H11BClFO3 |
| Molecular Weight | 280.4870 |
| SMILES | OB(c1ccc(c(c1F)OCc1ccccc1)Cl)O |
| Synonyms | 3-BENZYLOXY-4-CHLORO-2-FLUOROPHENYLBORONIC ACID,
1256346-27-6,
(3-(Benzyloxy)-4-chloro-2-fluorophenyl)boronic acid,
[3-(Benzyloxy)-4-chloro-2-fluorophenyl]boronic acid,
ACMC-209ax0,
SCHEMBL15912964,
CTK4B4541,
DTXSID90681660,
IPWQADAZCFOAPG-UHFFFAOYSA-N,
ANW-18418,
MFCD17015743,
AKOS015839343,
ZINC169934293,
PC412230,
TR-035198,
X1866,
B-2747,
I04-2175,
Boronic acid, B-[4-chloro-2-fluoro-3-(phenylmethoxy)phenyl]-,
C13H11BClFO3,
|
| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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