CAS
947590-65-0 Purity
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947590-65-0 Purity
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5-(Bromomethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazole
CAS
947599-52-2
Catalog Number
ACM947599522
Category
Other Products
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What is the IUPAC name of the compound?
The IUPAC name of the compound is 5-(bromomethyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-thiadiazole.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H6BrF3N2S/c11-5-8-15-9(16-17-8)6-1-3-7(4-2-6)10(12,13)14/h1-4H,5H2.
What is the InChIKey of the compound?
The InChIKey of the compound is HSHZPGGCSUPGLY-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC(=CC=C1C2=NSC(=N2)CBr)C(F)(F)F.
What is the molecular weight of the compound?
The molecular weight of the compound is 323.13 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.9.
How many hydrogen bond donor atoms are present in the compound?
There are no hydrogen bond donor atoms present in the compound.
How many hydrogen bond acceptor atoms are present in the compound?
There are 6 hydrogen bond acceptor atoms present in the compound.
How many rotatable bonds are present in the compound?
There are 2 rotatable bonds present in the compound.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 54.2.
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947598-69-8 Purity
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