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59156-12-6 | 2-[3-(Trifluoromethyl)phenyl]thiophene
CAS No: 59156-12-6 Catalog No: AG01EWKE MDL No:
Product Description
Catalog Number:
AG01EWKE
Chemical Name:
2-[3-(Trifluoromethyl)phenyl]thiophene
CAS Number:
59156-12-6
Molecular Formula:
C11H7F3S
Molecular Weight:
228.2335
IUPAC Name:
2-[3-(trifluoromethyl)phenyl]thiophene
InChI:
InChI=1S/C11H7F3S/c12-11(13,14)9-4-1-3-8(7-9)10-5-2-6-15-10/h1-7H
InChI Key:
VJWXOAYXNHDRQZ-UHFFFAOYSA-N
SMILES:
FC(c1cccc(c1)c1cccs1)(F)F
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.022g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.232g/mol
Monoisotopic Mass:
228.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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