CAS
958453-83-3 Purity
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958453-83-3 Purity
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3-Fluoro-4-(methylthiomethoxy)phenylboronic acid
CAS
958454-09-6
Catalog Number
ACM958454096
Category
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Specification
Synonyms
3-Fluoro-4-(methylthiomethoxy)phenylboronic acid
What is the molecular formula of 3-Fluoro-4-(methylthiomethoxy)phenylboronic acid?
The molecular formula is C8H10BFO3S.
What is the molecular weight of 3-Fluoro-4-(methylthiomethoxy)phenylboronic acid?
The molecular weight is 216.04 g/mol.
What is the IUPAC name of 3-Fluoro-4-(methylthiomethoxy)phenylboronic acid?
The IUPAC name is [3-fluoro-4-(methylsulfanylmethoxy)phenyl]boronic acid.
What is the InChI of 3-Fluoro-4-(methylthiomethoxy)phenylboronic acid?
The InChI is InChI=1S/C8H10BFO3S/c1-14-5-13-8-3-2-6(9(11)12)4-7(8)10/h2-4,11-12H,5H2,1H3.
What is the InChIKey of 3-Fluoro-4-(methylthiomethoxy)phenylboronic acid?
The InChIKey is PCHYHHPNTHQPEP-UHFFFAOYSA-N.
What is the canonical SMILES of 3-Fluoro-4-(methylthiomethoxy)phenylboronic acid?
The canonical SMILES is B(C1=CC(=C(C=C1)OCSC)F)(O)O.
What is the CAS number of 3-Fluoro-4-(methylthiomethoxy)phenylboronic acid?
The CAS number is 958454-09-6.
What is the hydrogen bond donor count of 3-Fluoro-4-(methylthiomethoxy)phenylboronic acid?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of 3-Fluoro-4-(methylthiomethoxy)phenylboronic acid?
The hydrogen bond acceptor count is 5.
Is 3-Fluoro-4-(methylthiomethoxy)phenylboronic acid a canonicalized compound?
Yes, 3-Fluoro-4-(methylthiomethoxy)phenylboronic acid is a canonicalized compound.
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