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Home > Fluorides > 1208076-21-4
1208076-21-4 | 2,4,6-Trifluorotoluene (Methyl D3)
CAS No: 1208076-21-4 Catalog No: AG01FE3F MDL No:MFCD12922663
Product Description
Catalog Number:
AG01FE3F
Chemical Name:
2,4,6-Trifluorotoluene (Methyl D3)
CAS Number:
1208076-21-4
Molecular Formula:
C7H2D3F3
Molecular Weight:
149.1283
MDL Number:
MFCD12922663
IUPAC Name:
1,3,5-trifluoro-2-(trideuteriomethyl)benzene
InChI:
InChI=1S/C7H5F3/c1-4-6(9)2-5(8)3-7(4)10/h2-3H,1H3/i1D3
InChI Key:
HZCVONJWZPKKBI-FIBGUPNXSA-N
SMILES:
Fc1cc(F)c(c(c1)F)C([2H])([2H])[2H]
Properties
Complexity:
103
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.053g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
3
Molecular Weight:
149.131g/mol
Monoisotopic Mass:
149.053g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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