Chemical ID: 7089419

c1c(cc(cc1F)I)C#N
Chemical ID:
7089419
Name [?]:
3-fluoro-5-iodo-benzonitrile
SMILES [?]:
c1c(cc(cc1F)I)C#N
InChi [?]:
InChI=1/C7H3FIN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChi Info:
AuxInfo=1/0/N:1,3,5,9,2,6,4,7,8,10/rA:10nCCCCCCFICN/rB:s1;d2;s3;d4;d1s5;s6;s4;s2;t9;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H3FIN
All Atoms:13
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:6.06177
Area:316.859
Solvation:-1.85972
Coulombic:-6.78653
Bond Count [?]
All:10
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:247.008
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.97
LogP (Chemaxon):2.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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