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Home > Aldehydes > 1289164-55-1
1289164-55-1 | Benzaldehyde, 4-(methylthio)-2-(trifluoromethyl)-
CAS No: 1289164-55-1 Catalog No: AG000YJ9 MDL No:MFCD24141367
Product Description
Catalog Number:
AG000YJ9
Chemical Name:
Benzaldehyde, 4-(methylthio)-2-(trifluoromethyl)-
CAS Number:
1289164-55-1
Molecular Formula:
C9H7F3OS
Molecular Weight:
220.2115
MDL Number:
MFCD24141367
IUPAC Name:
4-methylsulfanyl-2-(trifluoromethyl)benzaldehyde
InChI:
InChI=1S/C9H7F3OS/c1-14-7-3-2-6(5-13)8(4-7)9(10,11)12/h2-5H,1H3
InChI Key:
DGATVCIIBDMZAZ-UHFFFAOYSA-N
SMILES:
CSc1ccc(c(c1)C(F)(F)F)C=O
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.017g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.209g/mol
Monoisotopic Mass:
220.017g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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