Chemical ID: 7086963

Cc1c(c(nn1C(=O)C)C(F)(F)F)Cl
Chemical ID:
7086963
Name [?]:
1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILES [?]:
Cc1c(c(nn1C(=O)C)C(F)(F)F)Cl
InChi [?]:
InChI=1/C7H6ClF3N2O/c1-3-5(8)6(7(9,10)11)12-13(3)4(2)14/h1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,7,3,4,10,14,11,12,13,5,6,8/E:(9,10,11)/rA:14nCCCCNNCOCCFFFCl/rB:s1;d2;s3;d4;s2s5;s6;d7;s7;s4;s10;s10;s10;s3;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H6ClF3N2O
All Atoms:20
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.59173
Area:342.793
Solvation:-1.9781
Coulombic:-32.7481
Bond Count [?]
All:14
Single:11
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:226.583
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:1.98
LogP (Chemaxon):1.71

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