Home Aldehydes 3-(Trifluoromethylthio)benzaldehyde

3-(Trifluoromethylthio)benzaldehyde

CAS No.:
51748-27-7
Catalog Number:
AG00DCKE
Molecular Formula:
C8H5F3OS
Molecular Weight:
206.1849
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95+%
1 week
United States
$105
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Product Description
Catalog Number:
AG00DCKE
Chemical Name:
3-(Trifluoromethylthio)benzaldehyde
CAS Number:
51748-27-7
Molecular Formula:
C8H5F3OS
Molecular Weight:
206.1849
MDL Number:
MFCD00236335
IUPAC Name:
3-(trifluoromethylsulfanyl)benzaldehyde
InChI:
InChI=1S/C8H5F3OS/c9-8(10,11)13-7-3-1-2-6(4-7)5-12/h1-5H
InChI Key:
MMDFTYGZZLJQER-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)SC(F)(F)F
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.001g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.182g/mol
Monoisotopic Mass:
206.001g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties