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Chemical ID: 4260562
Chemical ID:
4260562
Name [?]:
2,6-diiodo-4-nitro-phenol
SMILES [?]:
c1c(cc(c(c1I)O)I)[N+](=O)[O-]
InChi [?]:
InChI=1/C6H3I2NO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H
InChi Info:
AuxInfo=1/0/N:1,3,2,6,4,5,7,9,10,8,11,12/E:(1,2)(4,5)(7,8)(11,12)/CRV:9.5/rA:12nCCCCCCIOIN+OO-/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s2;d10;s10;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C6H3I2NO3 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 2.02348 |
Area: | 372.213 |
Solvation: | -7.28183 |
Coulombic: | -25.3404 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 390.902 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.52 |
LogP (Chemaxon): | 3.7 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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