| CAS Number | 1456935-98-0 |
| Catalog Number | AG00ADXY(AGN-PC-0WNH9Z) |
| Chemical Name | 2,4,6-Tris(3,4-difluorophenyl)boroxin |
| IUPAC Name | 2,4,6-tris(3,4-difluorophenyl)-1,3,5,2,4,6-trioxatriborinane |
| InChI | InChI=1S/C18H9B3F6O3/c22-13-4-1-10(7-16(13)25)19-28-20(11-2-5-14(23)17(26)8-11)30-21(29-19)12-3-6-15(24)18(27)9-12/h1-9H |
| InChI Key | KIRMDENYWDSJJI-UHFFFAOYSA-N |
| MDL Number | MFCD10000965 |
| Molecular Formula | C18H9B3F6O3 |
| Molecular Weight | 419.6857 |
| SMILES | Fc1ccc(cc1F)b1ob(ob(o1)c1ccc(c(c1)F)F)c1ccc(c(c1)F)F |
| Synonyms | 2,4,6-Tris(3,4-difluorophenyl)boroxin,
1456935-98-0,
ACMC-20aj60,
SCHEMBL7859891,
CTK7C1230,
3,4-Difluorophenylboronic Anhydride,
Tris(3,4-difluorophenyl)cycloboroxane,
ZINC197073634,
TC-164511,
T2430,
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| Complexity | 495 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 420.073504g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 419.7g/mol |
| Monoisotopic Mass | 420.073504g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 27.7Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number