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Home > Fluorides > 872878-52-9
872878-52-9 | Thiophene, 4-methyl-2-[3-(trifluoromethyl)phenyl]-
CAS No: 872878-52-9 Catalog No: AG004LRC MDL No:
Product Description
Catalog Number:
AG004LRC
Chemical Name:
Thiophene, 4-methyl-2-[3-(trifluoromethyl)phenyl]-
CAS Number:
872878-52-9
Molecular Formula:
C12H9F3S
Molecular Weight:
242.2601
IUPAC Name:
4-methyl-2-[3-(trifluoromethyl)phenyl]thiophene
InChI:
InChI=1S/C12H9F3S/c1-8-5-11(16-7-8)9-3-2-4-10(6-9)12(13,14)15/h2-7H,1H3
InChI Key:
NOLRDDUINZOCBD-UHFFFAOYSA-N
SMILES:
Cc1csc(c1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.038g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.259g/mol
Monoisotopic Mass:
242.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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