Chemical ID: 3964500

c1cc(c(c(c1[N+](=O)[O-])F)F)F
Chemical ID:
3964500
Name [?]:
1,2,3-trifluoro-4-nitro-benzene
SMILES [?]:
c1cc(c(c(c1[N+](=O)[O-])F)F)F
InChi [?]:
InChI=1/C6H2F3NO2/c7-3-1-2-4(10(11)12)6(9)5(3)8/h1-2H
InChi Info:
AuxInfo=1/0/N:2,1,3,6,4,5,12,11,10,7,8,9/E:(11,12)/CRV:10.5/rA:12nCCCCCCN+OO-FFF/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s5;s4;s3;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C6H2F3NO2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-3.8945
Area:286.819
Solvation:-11.065
Coulombic:-16.5282
Bond Count [?]
All:12
Single:8
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:177.081
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.27
LogP (Chemaxon):2.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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