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Chemical ID: 4729300
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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