Chemical ID: 7197247

Cc1c(c(nn1CCC(=O)[O-])C(F)(F)F)Cl
Chemical ID:
7197247
Name [?]:
3-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
SMILES [?]:
Cc1c(c(nn1CCC(=O)[O-])C(F)(F)F)Cl
InChi [?]:
InChI=1/C8H8ClF3N2O2/c1-4-6(9)7(8(10,11)12)13-14(4)3-2-5(15)16/h2-3H2,1H3,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:1,8,7,2,9,3,4,12,16,13,14,15,5,6,10,11/E:(10,11,12)(15,16)/rA:16nCCCCNNCCCOO-CFFFCl/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s9;s4;s12;s12;s12;s3;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H7ClF3N2O2-
All Atoms:23
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-33.0873
Area:393.821
Solvation:-42.9328
Coulombic:-23.6176
Bond Count [?]
All:16
Single:13
Double:3
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:255.601
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.27
LogP (Chemaxon):1.86

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