CAS
91747-51-2 Purity
96%
91747-51-2 Purity
96%
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4-(2-Methoxycarbonylphenyl)benzotrifluoride
CAS
91748-18-4
Catalog Number
ACM91748184
Category
Other Products
Molecular Weight
280.24
Molecular Formula
C15H11F3O2
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Specification
Synonyms
4-(2-Methoxycarbonylphenyl)benzotrifluoride;4'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carboxylic acid methyl ester
IUPAC Name
methyl 2-[4-(trifluoromethyl)phenyl]benzoate
Canonical SMILES
COC(=O)C1=CC=CC=C1C2=CC=C(C=C2)C(F)(F)F
InChI Key
HXCNEYUUOTZZLS-UHFFFAOYSA-N
Exact Mass
280.07100
H-Bond Acceptor
5
H-Bond Donor
0
Safety Description
24/25
What is the molecular formula of the compound?
The molecular formula is C15H11F3O2.
What is the IUPAC name of the compound?
The IUPAC name is methyl 2-[4-(trifluoromethyl)phenyl]benzoate.
What is the molecular weight of the compound?
The molecular weight is 280.24 g/mol.
What is the CAS number of the compound?
The CAS number is 91748-18-4.
What is the InChIKey of the compound?
The InChIKey is HXCNEYUUOTZZLS-UHFFFAOYSA-N.
How many hydrogen bond acceptors does the compound have?
The compound has 5 hydrogen bond acceptors.
How many rotatable bonds does the compound have?
The compound has 3 rotatable bonds.
What is the Exact Mass of the compound?
The Exact Mass is 280.07111408 g/mol.
What is the topological polar surface area of the compound?
The topological polar surface area is 26.3 Ų.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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![4'-(Trifluoromethyl)-[1,1'-biphenyl]-2-carbonitrile](https://resource.alfa-chemistry.com/structure/91748-21-9.gif)
