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Home > Fluorides > 1349718-99-5
1349718-99-5 | 4-Methyl-2-trifluoromethylthiophene
CAS No: 1349718-99-5 Catalog No: AG01FDVY MDL No:MFCD19686202
Product Description
Catalog Number:
AG01FDVY
Chemical Name:
4-Methyl-2-trifluoromethylthiophene
CAS Number:
1349718-99-5
Molecular Formula:
C6H5F3S
Molecular Weight:
166.1641
MDL Number:
MFCD19686202
IUPAC Name:
4-methyl-2-(trifluoromethyl)thiophene
InChI:
InChI=1S/C6H5F3S/c1-4-2-5(10-3-4)6(7,8)9/h2-3H,1H3
InChI Key:
YBROCCPNPCFMCI-UHFFFAOYSA-N
SMILES:
FC(c1scc(c1)C)(F)F
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.006g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.161g/mol
Monoisotopic Mass:
166.006g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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