Chemical ID: 4120107

Cc1ccc(c(c1)C#N)F
Chemical ID:
4120107
Name [?]:
2-fluoro-5-methyl-benzonitrile
SMILES [?]:
Cc1ccc(c(c1)C#N)F
InChi [?]:
InChI=1/C8H6FN/c1-6-2-3-8(9)7(4-6)5-10/h2-4H,1H3
InChi Info:
AuxInfo=1/0/N:1,3,4,7,8,2,6,5,10,9/rA:10nCCCCCCCCNF/rB:s1;s2;d3;s4;d5;d2s6;s6;t8;s5;/rC:;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H6FN
All Atoms:10
Heavy Atoms:10
Chiral Atoms:0
ZAP Information [?]
Total:5.42128
Area:288.279
Solvation:-1.78569
Coulombic:-7.79793
Bond Count [?]
All:10
Single:6
Double:3
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:135.138
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:2.34
LogP (Chemaxon):2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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