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Home Other Building Blocks 1-Methyl-5-trifluoromethyl-1,2-dihydropyrazol-3-one

1-Methyl-5-trifluoromethyl-1,2-dihydropyrazol-3-one

CAS No.:
119022-51-4
Catalog Number:
AG000P2P
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$30
- +
5g
95%
In Stock USA
United States
$100
- +
25g
95%
In Stock USA
United States
$363
- +
Product Description
Catalog Number:
AG000P2P
Chemical Name:
1-Methyl-5-trifluoromethyl-1,2-dihydropyrazol-3-one
CAS Number:
119022-51-4
Molecular Formula:
C5H5F3N2O
Molecular Weight:
166.1012
MDL Number:
MFCD00085094
IUPAC Name:
2-methyl-3-(trifluoromethyl)-1H-pyrazol-5-one
InChI:
InChI=1S/C5H5F3N2O/c1-10-3(5(6,7)8)2-4(11)9-10/h2H,1H3,(H,9,11)
InChI Key:
QEHXHKNBIGEWIH-UHFFFAOYSA-N
SMILES:
FC(c1cc(=O)[nH]n1C)(F)F
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.035g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
166.103g/mol
Monoisotopic Mass:
166.035g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties