Home Other Building Blocks 3-(3-fluoro-5-(trifluoromethyl)benzyl)-1-methyl-1H-pyrazol-5-ol

3-(3-fluoro-5-(trifluoromethyl)benzyl)-1-methyl-1H-pyrazol-5-ol

CAS No.:
1358573-35-9
Catalog Number:
AG01DIJ9
Molecular Formula:
C12H10F4N2O
Molecular Weight:
274.2142
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Product Description
Catalog Number:
AG01DIJ9
Chemical Name:
3-(3-fluoro-5-(trifluoromethyl)benzyl)-1-methyl-1H-pyrazol-5-ol
CAS Number:
1358573-35-9
Molecular Formula:
C12H10F4N2O
Molecular Weight:
274.2142
MDL Number:
MFCD31652685
IUPAC Name:
5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-2-methyl-1H-pyrazol-3-one
InChI:
InChI=1S/C12H10F4N2O/c1-18-11(19)6-10(17-18)4-7-2-8(12(14,15)16)5-9(13)3-7/h2-3,5-6,17H,4H2,1H3
InChI Key:
PKYUONDPEOYVAU-UHFFFAOYSA-N
SMILES:
Fc1cc(Cc2cc(n(n2)C)O)cc(c1)C(F)(F)F
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.073g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.219g/mol
Monoisotopic Mass:
274.073g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties