CAS
958451-93-9 Purity
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958451-93-9 Purity
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4-(3,4,4-Trifluoro-but-3-en-1-yl-thio)-1-bromobenzene
CAS
958452-01-2
Catalog Number
ACM958452012
Category
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Specification
Synonyms
4-(3,4,4-Trifluoro-but-3-en-1-yl-thio)-1-bromobenzene
What is the molecular formula of the compound?
The molecular formula is C10H8BrF3S.
What are the synonyms of the compound?
The synonyms are 958452-01-2, 1-Bromo-4-[(3,4,4-trifluorobut-3-en-1-yl)sulfanyl]benzene, 4-(3,4,4-TRIFLUORO-BUT-3-EN-1-YL-THIO)-1-BROMOBENZENE, DTXSID00669696, EN300-19884849.
What is the molecular weight of the compound?
The molecular weight is 297.14 g/mol.
When was the compound created and last modified?
The compound was created on April 27, 2010, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 1-bromo-4-(3,4,4-trifluorobut-3-enylsulfanyl)benzene.
What is the InChI of the compound?
The InChI is InChI=1S/C10H8BrF3S/c11-7-1-3-8(4-2-7)15-6-5-9(12)10(13)14/h1-4H,5-6H2.
What is the InChIKey of the compound?
The InChIKey is PRGBQFCESSOMPU-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C1=CC(=CC=C1SCCC(=C(F)F)F)Br.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 4.2.
How many hydrogen bond acceptors does the compound have?
The compound has 4 hydrogen bond acceptors.
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CAS
958452-05-6 Purity
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958452-05-6 Purity
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