CAS
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2-(2-Chloro-4-fluorophenoxy)propanoic acid
Catalog Number
ACMA00001714
Category
Aryl Fluorinated Building Blocks
Molecular Weight
218.61
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Specification
Hazard Statements
H302
RIDADR
UN 3077 9 / PGIII
Symbol
GHS07
What is the molecular formula of 2-(2-chloro-4-fluorophenoxy)propanoic acid?
The molecular formula is C9H8ClFO3.
What is the molecular weight of 2-(2-chloro-4-fluorophenoxy)propanoic acid?
The molecular weight is 218.61 g/mol.
What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)propanoic acid?
The IUPAC name is 2-(2-chloro-4-fluorophenoxy)propanoic acid.
What is the Canonical SMILES of 2-(2-chloro-4-fluorophenoxy)propanoic acid?
The Canonical SMILES is CC(C(=O)O)OC1=C(C=C(C=C1)F)Cl.
What is the InChI of 2-(2-chloro-4-fluorophenoxy)propanoic acid?
The InChI is InChI=1S/C9H8ClFO3/c1-5(9(12)13)14-8-3-2-6(11)4-7(8)10/h2-5H,1H3,(H,12,13).
How many hydrogen bond donor counts are there in 2-(2-chloro-4-fluorophenoxy)propanoic acid?
There is 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts are there in 2-(2-chloro-4-fluorophenoxy)propanoic acid?
There are 4 hydrogen bond acceptor counts.
What is the topological polar surface area of 2-(2-chloro-4-fluorophenoxy)propanoic acid?
The topological polar surface area is 46.5 Å2.
How many defined atom stereocenter counts are there in 2-(2-chloro-4-fluorophenoxy)propanoic acid?
There are 0 defined atom stereocenter counts.
Is the compound canonicalized in 2-(2-chloro-4-fluorophenoxy)propanoic acid?
Yes, the compound is canonicalized.
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