Home Other Building Blocks 4'-Hydroxy-2'-trifluoromethylacetophenone

4'-Hydroxy-2'-trifluoromethylacetophenone

CAS No.:
220227-53-2
Catalog Number:
AG0037KM
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
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Product Description
Catalog Number:
AG0037KM
Chemical Name:
4'-Hydroxy-2'-trifluoromethylacetophenone
CAS Number:
220227-53-2
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD00008441
IUPAC Name:
1-[4-hydroxy-2-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H7F3O2/c1-5(13)7-3-2-6(14)4-8(7)9(10,11)12/h2-4,14H,1H3
InChI Key:
GKBDTFVRRWGDQM-UHFFFAOYSA-N
SMILES:
Oc1ccc(c(c1)C(F)(F)F)C(=O)C
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties