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Home > Aldehydes > 832150-76-2
832150-76-2 | 2-Thiophenecarboxaldehyde, 4-[3,5-bis(trifluoromethyl)phenyl]-
CAS No: 832150-76-2 Catalog No: AG004UM2 MDL No:
Product Description
Catalog Number:
AG004UM2
Chemical Name:
2-Thiophenecarboxaldehyde, 4-[3,5-bis(trifluoromethyl)phenyl]-
CAS Number:
832150-76-2
Molecular Formula:
C13H6F6OS
Molecular Weight:
324.2416
IUPAC Name:
4-[3,5-bis(trifluoromethyl)phenyl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C13H6F6OS/c14-12(15,16)9-1-7(2-10(4-9)13(17,18)19)8-3-11(5-20)21-6-8/h1-6H
InChI Key:
VXIIAOGWSFEIHE-UHFFFAOYSA-N
SMILES:
O=Cc1scc(c1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.004g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.24g/mol
Monoisotopic Mass:
324.004g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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