Chemical ID: 6935909

c1cc(c(cc1[N+](=O)[O-])NC(=O)C(Cl)(Cl)Cl)F
Chemical ID:
6935909
Name [?]:
2,2,2-trichloro-N-(2-fluoro-5-nitro-phenyl)-acetamide
SMILES [?]:
c1cc(c(cc1[N+](=O)[O-])NC(=O)C(Cl)(Cl)Cl)F
InChi [?]:
InChI=1/C8H4Cl3FN2O3/c9-8(10,11)7(15)13-6-3-4(14(16)17)1-2-5(6)12/h1-3H,(H,13,15)
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,11,13,14,15,16,17,10,7,12,8,9/E:(9,10,11)(16,17)/CRV:14.5/rA:17nCCCCCCN+OO-NCOCClClClF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s10;d11;s11;s13;s13;s13;s3;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4Cl3FN2O3
All Atoms:21
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:3.4973
Area:439.515
Solvation:-7.49057
Coulombic:-38.6574
Bond Count [?]
All:17
Single:12
Double:5
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:301.486
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.32
LogP (Chemaxon):2.49

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Descriptor Annotations

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