CAS
958452-01-2 Purity
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958452-01-2 Purity
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3-(2-Bromo-phenylsulfanyl)-1,1,1-trifluoro-propan-2-ol
CAS
958452-13-6
Catalog Number
ACM958452136
Category
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Specification
Synonyms
3-(2-Bromo-phenylsulfanyl)-1,1,1-trifluoro-propan-2-ol
What is the molecular formula of the compound?
The molecular formula of the compound is C9H8BrF3OS.
What is the molecular weight of the compound?
The molecular weight of the compound is 301.13 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(2-bromophenyl)sulfanyl-1,1,1-trifluoropropan-2-ol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H8BrF3OS/c10-6-3-1-2-4-7(6)15-5-8(14)9(11,12)13/h1-4,8,14H,5H2.
What is the InChIKey of the compound?
The InChIKey of the compound is BGJIUSWTGXFIOJ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1=CC=C(C(=C1)SCC(C(F)(F)F)O)Br.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.6.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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958452-05-6 Purity
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958452-05-6 Purity
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