Chemical ID: 5757847

CCOC(=O)c1cn(nc1C(F)(F)F)c2ccc(cc2)Cl
Chemical ID:
5757847
Name [?]:
ethyl 1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
SMILES [?]:
CCOC(=O)c1cn(nc1C(F)(F)F)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C13H10ClF3N2O2/c1-2-21-12(20)10-7-19(18-11(10)13(15,16)17)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,17,19,16,20,7,18,15,6,10,4,11,21,12,13,14,9,8,5,3/E:(3,4)(5,6)(15,16,17)/rA:21nCCOCOCCNNCCFFFCCCCCCCl/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6d9;s10;s11;s11;s11;s8;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10ClF3N2O2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:9.20248
Area:482.551
Solvation:-2.86129
Coulombic:-43.2939
Bond Count [?]
All:22
Single:16
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:318.679
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.9
LogP (Chemaxon):3.69

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Descriptor Annotations

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