CAS
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(5-Fluoro-2-methylphenyl)acetic acid
Catalog Number
ACMA00001703
Category
Aryl Fluorinated Building Blocks
Molecular Weight
168.16
Molecular Formula
C9H8F2O2
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Specification
Hazard Statements
H302-H315-H318-H335
RIDADR
NONH for all modes of transport
Symbol
GHS05
What is the molecular formula of (5-Fluoro-2-methylphenyl)acetic acid?
The molecular formula is C9H9FO2.
What is the molecular weight of (5-Fluoro-2-methylphenyl)acetic acid?
The molecular weight is 168.16 g/mol.
What is the IUPAC name of (5-Fluoro-2-methylphenyl)acetic acid?
The IUPAC name is 2-(5-fluoro-2-methylphenyl)acetic acid.
What is the InChI of (5-Fluoro-2-methylphenyl)acetic acid?
The InChI is InChI=1S/C9H9FO2/c1-6-2-3-8(10)4-7(6)5-9(11)12/h2-4H,5H2,1H3,(H,11,12).
What is the InChIKey of (5-Fluoro-2-methylphenyl)acetic acid?
The InChIKey is BPWHUOQJJZVQLO-UHFFFAOYSA-N.
What is the Canonical SMILES of (5-Fluoro-2-methylphenyl)acetic acid?
The Canonical SMILES is CC1=C(C=C(C=C1)F)CC(=O)O.
How many hydrogen bond donor counts does (5-Fluoro-2-methylphenyl)acetic acid have?
It has 1 hydrogen bond donor count.
What is the XLogP3-AA value of (5-Fluoro-2-methylphenyl)acetic acid?
The XLogP3-AA value is 1.8.
Does (5-Fluoro-2-methylphenyl)acetic acid have any defined atom or bond stereocenters?
No, it does not have any defined atom or bond stereocenters.
Is (5-Fluoro-2-methylphenyl)acetic acid a covalently-bonded unit?
Yes, it has a covalently-bonded unit count of 1.
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