CAS
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2-Ethoxy-6-fluorobenzonitrile
Catalog Number
ACMA00002944
Category
Ethers
Molecular Weight
165.16
Molecular Formula
C9H7NO3
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Specification
Hazard Statements
H302
RIDADR
UN 3439 6.1 / PGIII
Symbol
GHS07
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-ethoxy-6-fluorobenzonitrile.
What is the molecular formula of the compound?
The molecular formula of the compound is C9H8FNO.
What is the molecular weight of the compound?
The molecular weight of the compound is 165.16 g/mol.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C9H8FNO/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-5H,2H2,1H3.
What is the InChIKey of the compound?
The InChIKey of the compound is HVAKERNUWAPZOR-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCOC1=C(C(=CC=C1)F)C#N.
What is the CAS number of the compound?
The CAS number of the compound is 119584-73-5.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 2.1.
What is the hydrogen bond donor count of the compound?
The hydrogen bond donor count of the compound is 0.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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