CAS
958451-91-7 Purity
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958451-91-7 Purity
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4-(4-Fluoro-butylsulfanyl)-benzeneboronic acid
CAS
958451-97-3
Catalog Number
ACM958451973
Category
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Specification
Synonyms
4-(4-Fluoro-butylsulfanyl)-benzeneboronic acid
What is the molecular formula of the compound?
The molecular formula of the compound is C10H14BFO2S.
What is the molecular weight of the compound?
The molecular weight of the compound is 228.10 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is [4-(4-fluorobutylsulfanyl)phenyl]boronic acid.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C10H14BFO2S/c12-7-1-2-8-15-10-5-3-9(4-6-10)11(13)14/h3-6,13-14H,1-2,7-8H2.
What is the InChIKey of the compound?
The InChIKey of the compound is IVVHXSWZYXQHDY-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is B(C1=CC=C(C=C1)SCCCCF)(O)O.
What is the CAS number of the compound?
The CAS number of the compound is 958451-97-3.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 6 rotatable bond counts.
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CAS
958451-93-9 Purity
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958451-93-9 Purity
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CAS
958452-05-6 Purity
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958452-05-6 Purity
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