Chemical ID: 7148881

Cc1cc(nn1Cc2cccc(c2)C(F)(F)F)[N+](=O)[O-]
Chemical ID:
7148881
Name [?]:
5-methyl-3-nitro-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazole
SMILES [?]:
Cc1cc(nn1Cc2cccc(c2)C(F)(F)F)[N+](=O)[O-]
InChi [?]:
InChI=1/C12H10F3N3O2/c1-8-5-11(18(19)20)16-17(8)7-9-3-2-4-10(6-9)12(13,14)15/h2-6H,7H2,1H3
InChi Info:
AuxInfo=1/0/N:1,10,9,11,3,13,7,2,8,12,4,14,15,16,17,5,6,18,19,20/E:(13,14,15)(19,20)/CRV:18.5/rA:20nCCCCNNCCCCCCCCFFFN+OO-/rB:s1;d2;s3;d4;s2s5;s6;s7;s8;d9;s10;d11;d8s12;s12;s14;s14;s14;s4;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10F3N3O2
All Atoms:30
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:2.8621
Area:440.075
Solvation:-8.13979
Coulombic:-39.1371
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:285.222
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.56
LogP (Chemaxon):3.65

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Descriptor Annotations

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