CAS
910442-15-8 Purity
96%
910442-15-8 Purity
96%
![Spiro[1h-indene-1,4'-piperidine]-1'-carboxylicacid,3-amino-2,3-dihydro-6-methoxy-,1,1-dimethylethyl ester](https://resource.alfa-chemistry.com/structure/910442-49-8.gif)
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3-(3-Bromo-phenyl)-3a,4,6,6a-tetrahydro-thieno[3,4-d]isoxazole 5,5-dioxide
CAS
910442-25-0
Catalog Number
ACM910442250
Category
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What is the molecular formula of the compound?
The molecular formula of the compound is C11H10BrNO3S.
What is the molecular weight of the compound?
The molecular weight of the compound is 316.17 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(3-bromophenyl)-3a,4,6,6a-tetrahydrothieno[3,4-d][1,2]oxazole 5,5-dioxide.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H10BrNO3S/c12-8-3-1-2-7(4-8)11-9-5-17(14,15)6-10(9)16-13-11/h1-4,9-10H,5-6H2.
What is the InChIKey of the compound?
The InChIKey of the compound is AAMNIIBHGHTALO-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1C2C(CS1(=O)=O)ON=C2C3=CC(=CC=C3)Br.
What is the CAS number of the compound?
The CAS number of the compound is 910442-25-0.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 1.7.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
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