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729-81-7 | 1,3,5-Tris(trifluoromethyl)benzene
CAS No: 729-81-7 Catalog No: AG003DGS MDL No:MFCD00054722
Product Description
Catalog Number:
AG003DGS
Chemical Name:
1,3,5-Tris(trifluoromethyl)benzene
CAS Number:
729-81-7
Molecular Formula:
C9H3F9
Molecular Weight:
282.1057
MDL Number:
MFCD00054722
IUPAC Name:
1,3,5-tris(trifluoromethyl)benzene
InChI:
InChI=1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H
InChI Key:
ZMAUHKSOLPYPDB-UHFFFAOYSA-N
SMILES:
FC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.009g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.109g/mol
Monoisotopic Mass:
282.009g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Shape and electrostatic effects in optical Kerr effect spectroscopy of aromatic liquids. | The journal of physical chemistry. B 20081204 |
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