CAS
3913-02-8 Purity
95%
3913-02-8 Purity
95%
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4-Ethynyl-α,α,α-trifluorotoluene
CAS
705-31-7
Catalog Number
ACM705317
Category
Alkynyl
Molecular Weight
170.13g/mol
Molecular Formula
C9H5F3
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Specification
IUPAC Name
1-ethynyl-4-(trifluoromethyl)benzene
Canonical SMILES
C#CC1=CC=C(C=C1)C(F)(F)F
InChI
InChI=1S/C9H5F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h1,3-6H
InChI Key
XTKBMZQCDBHHKY-UHFFFAOYSA-N
Complexity
188
Covalently-Bonded Unit Count
1
Exact Mass
170.034335g/mol
Formal Charge
0
Hazard Statements
H226-H315-H319-H335
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
12
Monoisotopic Mass
170.034335g/mol
RIDADR
UN 2811 6.1 / PGIII
Rotatable Bond Count
1
Symbol
GHS02
XLogP3
3.2
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