CAS
958453-65-1 Purity
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958453-65-1 Purity
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4-(3-Fluoro-propylsulfanyl)-benzeneboronic acid
CAS
958453-83-3
Catalog Number
ACM958453833
Category
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Specification
Synonyms
4-(3-Fluoro-propylsulfanyl)-benzeneboronic acid
What is the molecular formula of the compound?
The molecular formula of the compound is C9H12BFO2S.
What is the synonyms of the compound?
The synonyms of the compound are 958453-83-3, 4-(3-fluoropropylsulfanyl)benzeneboronic acid, (4-((3-fluoropropyl)thio)phenyl)boronic acid, and [4-(3-fluoropropylsulfanyl)phenyl]boronic acid.
What is the molecular weight of the compound?
The molecular weight of the compound is 214.07 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [4-(3-fluoropropylsulfanyl)phenyl]boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H12BFO2S/c11-6-1-7-14-9-4-2-8(3-5-9)10(12)13/h2-5,12-13H,1,6-7H2.
What is the InChIKey of the compound?
The InChIKey of the compound is QLAPERAKAKNLTK-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=CC=C(C=C1)SCCCF)(O)O.
What is the CAS number of the compound?
The CAS number of the compound is 958453-83-3.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 2.
Is the compound a canonicalized compound?
Yes, the compound is canonicalized.
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