CAS
935534-36-4 Purity
96%
935534-36-4 Purity
96%
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1-[1-(Trifluoroacetyl)piperidin-4-yl]indoline-5-sulfonyl chloride
CAS
935534-42-2
Catalog Number
ACM935534422
Category
Other Products
Molecular Weight
396.812350 [g/mol]
Molecular Formula
C15H16ClF3N2O3S
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Specification
Synonyms
1-[1-(trifluoroacetyl)piperidin-4-yl]indoline-5-sulfonyl chloride, 935534-42-2
IUPAC Name
1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2,3-dihydroindole-5-sulfonyl chloride
InChI Key
OVVFXKMPJNZRGJ-UHFFFAOYSA-N
Exact Mass
396.05200
H-Bond Acceptor
7
H-Bond Donor
0
What is the molecular formula of the compound?
The molecular formula is C15H16ClF3N2O3S.
What is the IUPAC name of the compound?
The IUPAC name is 1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]-2,3-dihydroindole-5-sulfonyl chloride.
What is the molecular weight of the compound?
The molecular weight is 396.8 g/mol.
What is the InChI of the compound?
The InChI is InChI=1S/C15H16ClF3N2O3S/c16-25(23,24)12-1-2-13-10(9-12)3-8-21(13)11-4-6-20(7-5-11)14(22)15(17,18)19/h1-2,9,11H,3-8H2.
What is the InChIKey of the compound?
The InChIKey is OVVFXKMPJNZRGJ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1CN(CCC1N2CCC3=C2C=CC(=C3)S(=O)(=O)Cl)C(=O)C(F)(F)F.
What is the CAS number of the compound?
The CAS number is 935534-42-2.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.3.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count is 0.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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