Chemical ID: 4260562

c1c(cc(c(c1I)O)I)[N+](=O)[O-]
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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