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Home > Fluorides > 177096-58-1
177096-58-1 | Benzene, 1-(1,1-dimethyl-2-propyn-1-yl)-4-(trifluoromethyl)-
CAS No: 177096-58-1 Catalog No: AG00253G MDL No:
Product Description
Catalog Number:
AG00253G
Chemical Name:
Benzene, 1-(1,1-dimethyl-2-propyn-1-yl)-4-(trifluoromethyl)-
CAS Number:
177096-58-1
Molecular Formula:
C12H11F3
Molecular Weight:
212.2109
IUPAC Name:
1-(2-methylbut-3-yn-2-yl)-4-(trifluoromethyl)benzene
InChI:
InChI=1S/C12H11F3/c1-4-11(2,3)9-5-7-10(8-6-9)12(13,14)15/h1,5-8H,2-3H3
InChI Key:
RIQHUXFTOOCKCX-UHFFFAOYSA-N
SMILES:
C#CC(c1ccc(cc1)C(F)(F)F)(C)C
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.081g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.215g/mol
Monoisotopic Mass:
212.081g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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