Chemical ID: 6476632

c1cc(ccc1[N+](=O)[O-])Oc2c(cc(cn2)C(F)(F)F)Cl
Chemical ID:
6476632
Name [?]:
3-chloro-2-(4-nitrophenoxy)-5-(trifluoromethyl)pyridine
SMILES [?]:
c1cc(ccc1[N+](=O)[O-])Oc2c(cc(cn2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C12H6ClF3N2O3/c13-10-5-7(12(14,15)16)6-17-11(10)21-9-3-1-8(2-4-9)18(19)20/h1-6H
InChi Info:
AuxInfo=1/0/N:1,5,2,4,13,15,14,6,3,12,11,17,21,18,19,20,16,7,8,9,10/E:(1,2)(3,4)(14,15,16)(19,20)/CRV:18.5/rA:21nCCCCCCN+OO-OCCCCCNCFFFCl/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s3;s10;s11;d12;s13;d14;d11s15;s14;s17;s17;s17;s12;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H6ClF3N2O3
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:3.52311
Area:462.046
Solvation:-8.02803
Coulombic:-43.0486
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:318.636
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.29
LogP (Chemaxon):4.22

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Descriptor Annotations

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