CAS
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2-Fluoro-5-(methylsulfonyl)aniline
Catalog Number
ACMA00001846
Category
Aryl Fluorinated Building Blocks
Molecular Weight
189.21
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Specification
Hazard Statements
H315-H319-H335
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 2-Fluoro-5-(methylsulfonyl)aniline?
The molecular formula is C7H8FNO2S.
What is the molecular weight of 2-Fluoro-5-(methylsulfonyl)aniline?
The molecular weight is 189.21 g/mol.
What is the IUPAC name of 2-Fluoro-5-(methylsulfonyl)aniline?
The IUPAC name is 2-fluoro-5-methylsulfonylaniline.
What is the canonical SMILES representation of 2-Fluoro-5-(methylsulfonyl)aniline?
The canonical SMILES is CS(=O)(=O)C1=CC(=C(C=C1)F)N.
What is the InChIKey of 2-Fluoro-5-(methylsulfonyl)aniline?
The InChIKey is NUBPBOIRQMDMNG-UHFFFAOYSA-N.
What is the European Community (EC) Number of 2-Fluoro-5-(methylsulfonyl)aniline?
The EC Number is 671-145-0.
What is the XLogP3 value of 2-Fluoro-5-(methylsulfonyl)aniline?
The XLogP3 value is 0.7.
How many hydrogen bond donor counts does 2-Fluoro-5-(methylsulfonyl)aniline have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of 2-Fluoro-5-(methylsulfonyl)aniline?
The topological polar surface area is 68.5 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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