CAS
90553-43-8 Purity
96%
90553-43-8 Purity
96%
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5-(4-Chloro-1,1,2,2,3,3,4,4-octafluorobutylsulfonyl)-2-isobutoxy-4,6-diphenyl-3,4-dihydro-2H-pyran
CAS
905560-36-3
Catalog Number
ACM905560363
Category
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What is the molecular formula of the compound?
The molecular formula is C25H23ClF8O4S.
What are the synonyms of the compound?
The synonyms of the compound are 905560-36-3 and 5-(4-Chloro-1,1,2,2,3,3,4,4-octafluorobutylsulfonyl)-2-isobutoxy-4,6-diphenyl-3,4-dihydro-2H-pyran.
What is the molecular weight of the compound?
The molecular weight is 607.0 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(4-chloro-1,1,2,2,3,3,4,4-octafluorobutyl)sulfonyl-2-(2-methylpropoxy)-4,6-diphenyl-3,4-dihydro-2H-pyran.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C25H23ClF8O4S/c1-15(2)14-37-19-13-18(16-9-5-3-6-10-16)21(20(38-19)17-11-7-4-8-12-17)39(35,36)25(33,34)23(29,30)22(27,28)24(26,31)32/h3-12,15,18-19H,13-14H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is GJYSYEHCVSPTGM-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC(C)COC1CC(C(=C(O1)C2=CC=CC=C2)S(=O)(=O)C(C(C(C(F)(F)Cl)(F)F)(F)F)(F)F)C3=CC=CC=C3.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 8.
How many hydrogen bond donors are there in the compound?
There are 0 hydrogen bond donors in the compound.
How many rotatable bonds are there in the compound?
There are 10 rotatable bonds in the compound.
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