Chemical ID: 3964449

c1cc(c(cc1F)C#N)[N+](=O)[O-]
Chemical ID:
3964449
Name [?]:
5-fluoro-2-nitro-benzonitrile
SMILES [?]:
c1cc(c(cc1F)C#N)[N+](=O)[O-]
InChi [?]:
InChI=1/C7H3FN2O2/c8-6-1-2-7(10(11)12)5(3-6)4-9/h1-3H
InChi Info:
AuxInfo=1/0/N:1,2,5,8,4,6,3,7,9,10,11,12/E:(11,12)/CRV:10.5/rA:12nCCCCCCFCNN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s4;t8;s3;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H3FN2O2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:-1.2764
Area:306.159
Solvation:-8.93036
Coulombic:-14.2915
Bond Count [?]
All:12
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:166.109
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.68
LogP (Chemaxon):1.95

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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