| CAS Number | 1162257-45-5 |
| Catalog Number | AG000BZ4(AGN-PC-0AC0ZD) |
| Chemical Name | 4-Propoxy-3-(trifluoromethyl)phenylboronic acid |
| IUPAC Name | [4-propoxy-3-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H12BF3O3/c1-2-5-17-9-4-3-7(11(15)16)6-8(9)10(12,13)14/h3-4,6,15-16H,2,5H2,1H3 |
| InChI Key | WXJILKLCSIMQCB-UHFFFAOYSA-N |
| MDL Number | MFCD20231450 |
| Molecular Formula | C10H12BF3O3 |
| Molecular Weight | 248.0067 |
| SMILES | c1(cc(c(cc1)OCCC)C(F)(F)F)B(O)O |
| Synonyms | 1162257-45-5,
(4-Propoxy-3-(trifluoromethyl)phenyl)boronic acid,
4-PROPOXY-3-(TRIFLUOROMETHYL)PHENYLBORONIC ACID,
[4-propoxy-3-(trifluoromethyl)phenyl]boronic acid,
ACMC-2099s7,
CTK8A9313,
DTXSID80716591,
ANW-16949,
MFCD20231450,
AKOS015893106,
ZINC169955502,
PC412166,
AX8240044,
TC-105694,
Z7763,
A-9181,
I04-2212,
Boronic acid, B-[4-propoxy-3-(trifluoromethyl)phenyl]-,
C10H12BF3O3,
(4-Propoxy-3-(trifluoromethyl)phenyl)boronicacid,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.008g/mol |
| Monoisotopic Mass | 248.083g/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
Lot Number