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Home > Aldehydes > 886508-96-9
886508-96-9 | 5-(2-Trifluoromethyl-phenyl)-thiophene-2-carbaldehyde
CAS No: 886508-96-9 Catalog No: AG01EYHB MDL No:
Product Description
Catalog Number:
AG01EYHB
Chemical Name:
5-(2-Trifluoromethyl-phenyl)-thiophene-2-carbaldehyde
CAS Number:
886508-96-9
Molecular Formula:
C12H7F3OS
Molecular Weight:
256.2436
IUPAC Name:
5-[2-(trifluoromethyl)phenyl]thiophene-2-carbaldehyde
InChI:
InChI=1S/C12H7F3OS/c13-12(14,15)10-4-2-1-3-9(10)11-6-5-8(7-16)17-11/h1-7H
InChI Key:
YLFWNLGRFKZBPG-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1ccccc1C(F)(F)F
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.017g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.242g/mol
Monoisotopic Mass:
256.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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