Home Other Building Blocks 5,5,5-trifluoro-4-hydroxy-4-(1-methyl-1H-imidazol-2-yl)pentan-2-one

5,5,5-trifluoro-4-hydroxy-4-(1-methyl-1H-imidazol-2-yl)pentan-2-one

CAS No.:
930414-73-6
Catalog Number:
AG019WC0
Molecular Formula:
C9H11F3N2O2
Molecular Weight:
236.1910
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Product Description
Catalog Number:
AG019WC0
Chemical Name:
5,5,5-trifluoro-4-hydroxy-4-(1-methyl-1H-imidazol-2-yl)pentan-2-one
CAS Number:
930414-73-6
Molecular Formula:
C9H11F3N2O2
Molecular Weight:
236.1910
MDL Number:
MFCD09310202
IUPAC Name:
5,5,5-trifluoro-4-hydroxy-4-(1-methylimidazol-2-yl)pentan-2-one
InChI:
InChI=1S/C9H11F3N2O2/c1-6(15)5-8(16,9(10,11)12)7-13-3-4-14(7)2/h3-4,16H,5H2,1-2H3
InChI Key:
JIGAJAXVPYMJEG-UHFFFAOYSA-N
SMILES:
CC(=O)CC(C(F)(F)F)(c1nccn1C)O
Properties
Complexity:
282  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.077g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.194g/mol
Monoisotopic Mass:
236.077g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties