2-Formyl-5-(methylsulphonyl)benzotrifluoride


Chemical Name: 2-Formyl-5-(methylsulphonyl)benzotrifluoride
CAS Number: 1215310-75-0
Product Number: AG00158V(AGN-PC-0WAME7)
Synonyms:
MDL No: MFCD15479075
Molecular Formula: C9H7F3O3S
Molecular Weight: 252.2103

Identification/Properties


Computed Properties
Molecular Weight:
252.207g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
2
Exact Mass:
252.007g/mol
Monoisotopic Mass:
252.007g/mol
Topological Polar Surface Area:
59.6A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
355
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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