CAS
618092-28-7 Purity
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618092-28-7 Purity
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(2-Methyl-3-trifluoromethyl-phenyl)-prop-2-ynyl-amine
Catalog Number
ACMA00000716
Category
Alkynyl
Molecular Weight
213.20
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Specification
Hazard Statements
H301-H319
RIDADR
NONH for all modes of transport
Symbol
GHS06
What is the molecular formula of the compound?
The molecular formula of the compound is C11H10F3N.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-methyl-N-prop-2-ynyl-3-(trifluoromethyl)aniline.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C11H10F3N/c1-3-7-15-10-6-4-5-9(8(10)2)11(12,13)14/h1,4-6,15H,7H2,2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is RBGCJANUIILTGQ-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CC1=C(C=CC=C1NCC#C)C(F)(F)F.
What is the molecular weight of the compound?
The molecular weight of the compound is 213.20 g/mol.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is 3.3.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 4 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 2 rotatable bond counts.
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