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Chemical ID: 6690342
Chemical ID:
6690342
Name [?]:
1-iodo-3-(trifluoromethoxy)benzene
SMILES [?]:
c1cc(cc(c1)I)OC(F)(F)F
InChi [?]:
InChI=1/C7H4F3IO/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4H
InChi Info:
AuxInfo=1/0/N:1,6,2,4,5,3,9,10,11,12,7,8/E:(8,9,10)/rA:12nCCCCCCIOCFFF/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;s9;s9;s9;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C7H4F3IO |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.20701 |
Area: | 321.175 |
Solvation: | -0.822373 |
Coulombic: | -33.4289 |
Bond Count [?]
All: | 12 |
Single: | 9 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 288.006 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.26 |
LogP (Chemaxon): | 3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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