| CAS Number | 1444260-43-8 |
| Catalog Number | AG01DTPW(AGN-PC-07TCT2) |
| Chemical Name | [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]boronic acid |
| IUPAC Name | [4-propan-2-yloxy-3-(trifluoromethyl)phenyl]boronic acid |
| InChI | InChI=1S/C10H12BF3O3/c1-6(2)17-9-4-3-7(11(15)16)5-8(9)10(12,13)14/h3-6,15-16H,1-2H3 |
| InChI Key | BJUWYZGRAZSRQW-UHFFFAOYSA-N |
| MDL Number | MFCD08059520 |
| Molecular Formula | C10H12BF3O3 |
| Molecular Weight | 248.0067 |
| SMILES | CC(C)OC1=C(C=C(C=C1)B(O)O)C(F)(F)F |
| Synonyms | 4-isopropoxy-3-(trifluoromethyl)phenylboronic acid,
1444260-43-8,
SCHEMBL15194036,
CTK6B0828,
ZX-AP012440,
PC3094,
SBB100345,
5-Borono-2-isopropoxybenzotrifluoride,
ZINC169807591,
AS-55412,
Z1526,
5-Borono-2-[(prop-2-yl)oxy]benzotrifluoride,
Q-7203,
[4-(propan-2-yloxy)-3-(trifluoromethyl)phenyl]boronic acid,
[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]boronic acid,
C10H12BF3O3,
4-Isopropoxy-3-(trifluoromethyl)benzeneboronic acid,
(4-Isopropoxy-3-(trifluoromethyl)phenyl)boronic acid,
|
| Complexity | 245 |
| 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 | 3 |
| 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