Chemical ID: 7244260

c1ccc(c(c1)C(F)(F)F)n2cc(c(n2)C(=O)[O-])O
Chemical ID:
7244260
Name [?]:
4-hydroxy-1-[2-(trifluoromethyl)phenyl]-pyrazole-3-carboxylate
SMILES [?]:
c1ccc(c(c1)C(F)(F)F)n2cc(c(n2)C(=O)[O-])O
InChi [?]:
InChI=1/C11H7F3N2O3/c12-11(13,14)6-3-1-2-4-7(6)16-5-8(17)9(15-16)10(18)19/h1-5,17H,(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,5,4,13,14,16,7,8,9,10,15,11,19,17,18/E:(12,13,14)(18,19)/rA:19nCCCCCCCFFFNCCCNCOO-O/rB:s1;d2;s3;d4;d1s5;s5;s7;s7;s7;s4;s11;d12;s13;s11d14;s14;d16;s16;s13;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H6F3N2O3-
All Atoms:25
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:-37.5427
Area:390.267
Solvation:-47.2994
Coulombic:-40.1073
Bond Count [?]
All:20
Single:14
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:271.172
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.7
LogP (Chemaxon):3.17

Name Annotations

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Descriptor Annotations

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