| CAS Number | 501944-50-9 |
| Catalog Number | AG00DKK7(AGN-PC-01XD3P) |
| Chemical Name | (4'-(Trifluoromethoxy)-[1,1'-biphenyl]-4-yl)boronic acid |
| IUPAC Name | [4-[4-(trifluoromethoxy)phenyl]phenyl]boronic acid |
| InChI | InChI=1S/C13H10BF3O3/c15-13(16,17)20-12-7-3-10(4-8-12)9-1-5-11(6-2-9)14(18)19/h1-8,18-19H |
| InChI Key | CUFCSCZISVFDAT-UHFFFAOYSA-N |
| MDL Number | MFCD23135905 |
| Molecular Formula | C13H10BF3O3 |
| Molecular Weight | 282.0229 |
| SMILES | FC(OC1=CC=C(C=C1)C1=CC=C(C=C1)B(O)O)(F)F |
| Synonyms | 501944-50-9,
{4-[4-(Trifluoromethoxy)phenyl]phenyl}boronic acid,
(4'-(Trifluoromethoxy)-[1,1'-biphenyl]-4-yl)boronic acid,
(4-[4-(TRIFLUOROMETHOXY)PHENYL]PHENYL)BORONIC ACID,
SCHEMBL6610143,
CUFCSCZISVFDAT-UHFFFAOYSA-N,
KM3688,
AKOS025293847,
ZINC169988546,
PC412550,
V6226,
C13H10BF3O3,
Boronic acid, [4'-(trifluoromethoxy)[1,1'-biphenyl]-4-yl]-,
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| Complexity | 296 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.067509g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 282.02g/mol |
| Monoisotopic Mass | 282.067509g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number