Home Other Building Blocks 4-(trifluoromethyl)benzoyl isothiocyanate

4-(trifluoromethyl)benzoyl isothiocyanate

CAS No.:
880483-26-1
Catalog Number:
AG01BH24
Molecular Formula:
C9H4F3NOS
Molecular Weight:
231.1944
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Product Description
Catalog Number:
AG01BH24
Chemical Name:
4-(trifluoromethyl)benzoyl isothiocyanate
CAS Number:
880483-26-1
Molecular Formula:
C9H4F3NOS
Molecular Weight:
231.1944
IUPAC Name:
4-(trifluoromethyl)benzoyl isothiocyanate
InChI:
InChI=1S/C9H4F3NOS/c10-9(11,12)7-3-1-6(2-4-7)8(14)13-5-15/h1-4H
InChI Key:
ISSOJFYCPFSMEO-UHFFFAOYSA-N
SMILES:
S=C=NC(=O)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.997g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.192g/mol
Monoisotopic Mass:
230.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9  
Properties