Home Other Building Blocks 1,1,1-trifluoro-3-(1-methyl-1H-pyrazol-4-yl)propan-2-one

1,1,1-trifluoro-3-(1-methyl-1H-pyrazol-4-yl)propan-2-one

CAS No.:
1342197-54-9
Catalog Number:
AG01ABY7
Molecular Formula:
C7H7F3N2O
Molecular Weight:
192.1385
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Product Description
Catalog Number:
AG01ABY7
Chemical Name:
1,1,1-trifluoro-3-(1-methyl-1H-pyrazol-4-yl)propan-2-one
CAS Number:
1342197-54-9
Molecular Formula:
C7H7F3N2O
Molecular Weight:
192.1385
MDL Number:
MFCD17260475
IUPAC Name:
1,1,1-trifluoro-3-(1-methylpyrazol-4-yl)propan-2-one
InChI:
InChI=1S/C7H7F3N2O/c1-12-4-5(3-11-12)2-6(13)7(8,9)10/h3-4H,2H2,1H3
InChI Key:
RDJAFTUGQISHNK-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)CC(=O)C(F)(F)F
Properties
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.051g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.141g/mol
Monoisotopic Mass:
192.051g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties