CAS
704-41-6 Purity
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704-41-6 Purity
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3-(Difluoromethoxy)phenylacetylene
Catalog Number
ACMA00000717
Category
Alkynyl
Molecular Weight
168.14
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Specification
Hazard Statements
H315
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of the compound?
The molecular formula is C9H6F2O.
What is the molecular weight of the compound?
The molecular weight is 168.14 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 1-(difluoromethoxy)-3-ethynylbenzene.
What is the InChI of the compound?
The InChI is InChI=1S/C9H6F2O/c1-2-7-4-3-5-8(6-7)12-9(10)11/h1,3-6,9H.
What is the InChIKey of the compound?
The InChIKey is UGUOBKVALAVDFR-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES is C#CC1=CC(=CC=C1)OC(F)F.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 3.1.
How many hydrogen bond donor counts does the compound have?
The compound has 0 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 3 rotatable bond counts.
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