CAS
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[(2,4-Difluorophenyl)thio]acetic acid
Catalog Number
ACMA00001934
Category
Aryl Fluorinated Building Blocks
Molecular Weight
204.19
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Specification
Hazard Statements
H315-H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(2,4-difluorophenyl)sulfanylacetic acid.
What is the molecular formula of the compound?
The molecular formula of the compound is C8H6F2O2S.
What is the molecular weight of the compound?
The molecular weight of the compound is 204.20 g/mol.
What is the InChIKey of the compound?
The InChIKey of the compound is DGMMJRBTUKGZRY-UHFFFAOYSA-N.
What is the canonical SMILES representation of the compound?
The canonical SMILES representation of the compound is C1=CC(=C(C=C1F)F)SCC(=O)O.
How many hydrogen bond donor atoms are in the compound?
There is 1 hydrogen bond donor atom in the compound.
How many hydrogen bond acceptor atoms are in the compound?
There are 5 hydrogen bond acceptor atoms in the compound.
How many rotatable bonds are in the compound?
There are 3 rotatable bonds in the compound.
What is the exact mass of the compound?
The exact mass of the compound is 204.00565693 g/mol.
Is the compound considered a canonicalized form?
Yes, the compound is considered canonicalized.
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