CAS
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4-[(2-Chloro-6-fluorobenzyl)oxy]benzoic acid
Catalog Number
ACMA00001750
Category
Aryl Fluorinated Building Blocks
Molecular Weight
280.68
Molecular Formula
C13H12FNO3S
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Specification
Hazard Statements
H302
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound identified by PubChem CID 20990027?
The molecular formula is C14H10ClFO3.
What is the molecular weight of the compound?
The molecular weight is 280.68 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-[(2-chloro-6-fluorophenyl)methoxy]benzoic acid.
What is the InChIKey of the compound?
The InChIKey is DWHCHNBZFKMVGV-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.6.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 46.5 Ų.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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