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Home > Fluorides > 114498-66-7
114498-66-7 | Benzene, 1-(2-methyl-1-propen-1-yl)-3-(trifluoromethyl)-
CAS No: 114498-66-7 Catalog No: AG000EJY MDL No:
Product Description
Catalog Number:
AG000EJY
Chemical Name:
Benzene, 1-(2-methyl-1-propen-1-yl)-3-(trifluoromethyl)-
CAS Number:
114498-66-7
Molecular Formula:
C11H11F3
Molecular Weight:
200.2002
IUPAC Name:
1-(2-methylprop-1-enyl)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C11H11F3/c1-8(2)6-9-4-3-5-10(7-9)11(12,13)14/h3-7H,1-2H3
InChI Key:
YJEMFCXAXFAFBS-UHFFFAOYSA-N
SMILES:
CC(=Cc1cccc(c1)C(F)(F)F)C
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.204g/mol
Monoisotopic Mass:
200.081g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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