Home Halogens 2-chloro-N-[1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]acetamide

2-chloro-N-[1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]acetamide

CAS No.:
1019067-51-6
Catalog Number:
AG019PPQ
Molecular Formula:
C12H11ClFN3O
Molecular Weight:
267.6866
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Product Description
Catalog Number:
AG019PPQ
Chemical Name:
2-chloro-N-[1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-yl]acetamide
CAS Number:
1019067-51-6
Molecular Formula:
C12H11ClFN3O
Molecular Weight:
267.6866
MDL Number:
MFCD09802028
IUPAC Name:
2-chloro-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
InChI:
InChI=1S/C12H11ClFN3O/c1-8-6-11(15-12(18)7-13)17(16-8)10-4-2-9(14)3-5-10/h2-6H,7H2,1H3,(H,15,18)
InChI Key:
VIVUXESWFAWVSJ-UHFFFAOYSA-N
SMILES:
ClCC(=O)Nc1cc(nn1c1ccc(cc1)F)C
Properties
Complexity:
297  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.057g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.688g/mol
Monoisotopic Mass:
267.057g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties