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Chemical ID: 5207681
Chemical ID:
5207681
Name [?]:
2-(3-fluorophenyl)-1H-imidazole
SMILES [?]:
c1cc(cc(c1)F)c2[nH]ccn2
InChi [?]:
InChI=1/C9H7FN2/c10-8-3-1-2-7(6-8)9-11-4-5-12-9/h1-6H,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,11,4,3,5,8,7,9,12/E:(4,5)(11,12)/rA:12nCCCCCCFCNCCN/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;d10;d8s11;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7FN2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.59818 |
Area: | 311.751 |
Solvation: | -2.19559 |
Coulombic: | -20.3101 |
Bond Count [?]
All: | 13 |
Single: | 8 |
Double: | 5 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 162.164 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 2.08 |
LogP (Chemaxon): | 2.19 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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