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Chemical ID: 7197272
Chemical ID:
7197272
Name [?]:
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetate
SMILES [?]:
c1c(n(nc1C(F)(F)F)CC(=O)[O-])C2CC2
InChi [?]:
InChI=1/C9H9F3N2O2/c10-9(11,12)7-3-6(5-1-2-5)14(13-7)4-8(15)16/h3,5H,1-2,4H2,(H,15,16)/p-1
InChi Info:
AuxInfo=1/1/N:15,16,1,10,14,2,5,11,6,7,8,9,4,3,12,13/E:(1,2)(10,11,12)(15,16)/rA:16nCCNNCCFFFCCOO-CCC/rB:d1;s2;s3;s1d4;s5;s6;s6;s6;s3;s10;d11;s11;s2;s14;s14s15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8F3N2O2- |
All Atoms: | 24 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -34.5377 |
Area: | 376.578 |
Solvation: | -43.9522 |
Coulombic: | -23.8577 |
Bond Count [?]
All: | 17 |
Single: | 14 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 233.167 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 0.78 |
LogP (Chemaxon): | 1.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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