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87721-33-3 | Thiophene, 2,5-bis(trifluoromethyl)-
CAS No: 87721-33-3 Catalog No: AG004JC9 MDL No:MFCD12922656
Product Description
Catalog Number:
AG004JC9
Chemical Name:
Thiophene, 2,5-bis(trifluoromethyl)-
CAS Number:
87721-33-3
Molecular Formula:
C6H2F6S
Molecular Weight:
220.1355
MDL Number:
MFCD12922656
IUPAC Name:
2,5-bis(trifluoromethyl)thiophene
InChI:
InChI=1S/C6H2F6S/c7-5(8,9)3-1-2-4(13-3)6(10,11)12/h1-2H
InChI Key:
POAZWYVLVJSZEO-UHFFFAOYSA-N
SMILES:
FC(c1ccc(s1)C(F)(F)F)(F)F
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.978g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.132g/mol
Monoisotopic Mass:
219.978g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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