Chemical ID: 4729300

c1c(cc(c(c1C#N)F)C#N)C#N
Chemical ID:
4729300
Name [?]:
2-fluorobenzene-1,3,5-tricarbonitrile
SMILES [?]:
c1c(cc(c(c1C#N)F)C#N)C#N
InChi [?]:
InChI=1/C9H2FN3/c10-9-7(4-12)1-6(3-11)2-8(9)5-13/h1-2H
InChi Info:
AuxInfo=1/0/N:1,3,12,7,10,2,6,4,5,9,13,8,11/E:(1,2)(4,5)(7,8)(12,13)/rA:13nCCCCCCCNFCNCN/rB:s1;d2;s3;d4;d1s5;s6;t7;s5;s4;t10;s2;t12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C9H2FN3
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:5.2491
Area:352.943
Solvation:-3.57448
Coulombic:-10.6638
Bond Count [?]
All:13
Single:7
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:171.131
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:1.35
LogP (Chemaxon):1.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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