Home Aldehydes 3-(Pentafluorosulfur)benzaldehyde

3-(Pentafluorosulfur)benzaldehyde

CAS No.:
401892-80-6
Catalog Number:
AG00I7VZ
Molecular Formula:
C7H5F5OS
Molecular Weight:
232.1710
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Product Description
Catalog Number:
AG00I7VZ
Chemical Name:
3-(Pentafluorosulfur)benzaldehyde
CAS Number:
401892-80-6
Molecular Formula:
C7H5F5OS
Molecular Weight:
232.1710
MDL Number:
MFCD03788517
IUPAC Name:
3-(pentafluoro-λ6-sulfanyl)benzaldehyde
InChI:
InChI=1S/C7H5F5OS/c8-14(9,10,11,12)7-3-1-2-6(4-7)5-13/h1-5H
InChI Key:
APFMXGBPENUHDD-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1)S(F)(F)(F)(F)F
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.998g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.168g/mol
Monoisotopic Mass:
231.998g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
18.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7  
Properties