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5-Ethynyl-1,2,3-trifluorobenzene

Catalog Number
ACM158816558-1
CAS Number
158816-55-8
Product Name
5-Ethynyl-1,2,3-trifluorobenzene
Structure
Category
Liquid Crystal (LC) Building Blocks; Liquid Crystal (LC) Materials
IUPAC Name
5-ethynyl-1,2,3-trifluorobenzene
Molecular Weight
156.1g/mol
Molecular Formula
C8H3F3
Canonical SMILES
C#CC1=CC(=C(C(=C1)F)F)F
InChI
InChI=1S/C8H3F3/c1-2-5-3-6(9)8(11)7(10)4-5/h1,3-4H
InChI Key
BZXWRVPVZZZAKB-UHFFFAOYSA-N
Complexity
169
Covalently-Bonded Unit Count
1
Exact Mass
156.018685g/mol
Formal Charge
0
Heavy Atom Count
11
Monoisotopic Mass
156.018685g/mol
Rotatable Bond Count
1
XLogP3
2.5
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