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82907-02-6 | Benzene, 1-(trifluoroethenyl)-3-(trifluoromethyl)-
CAS No: 82907-02-6 Catalog No: AG005EP9 MDL No:
Product Description
Catalog Number:
AG005EP9
Chemical Name:
Benzene, 1-(trifluoroethenyl)-3-(trifluoromethyl)-
CAS Number:
82907-02-6
Molecular Formula:
C9H4F6
Molecular Weight:
226.1185
IUPAC Name:
1-(1,2,2-trifluoroethenyl)-3-(trifluoromethyl)benzene
InChI:
InChI=1S/C9H4F6/c10-7(8(11)12)5-2-1-3-6(4-5)9(13,14)15/h1-4H
InChI Key:
CWCOPPSWRLHCHT-UHFFFAOYSA-N
SMILES:
FC(=C(c1cccc(c1)C(F)(F)F)F)F
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.121g/mol
Monoisotopic Mass:
226.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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