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Chemical ID: 4345835
Chemical ID:
4345835
Name [?]:
N-(2-chloro-4-iodo-phenyl)-2-nitro-benzamide
SMILES [?]:
c1ccc(c(c1)C(=O)Nc2ccc(cc2Cl)I)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H8ClIN2O3/c14-10-7-8(15)5-6-11(10)16-13(18)9-3-1-2-4-12(9)17(19)20/h1-7H,(H,16,18)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,12,11,14,13,5,15,10,4,7,16,17,9,18,8,19,20/E:(19,20)/CRV:17.5/rA:20nCCCCCCCONCCCCCCClIN+OO-/rB:s1;d2;s3;d4;d1s5;s5;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s13;s4;d18;s18;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8ClIN2O3 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 3.9952 |
Area: | 489.95 |
Solvation: | -8.25354 |
Coulombic: | -31.9271 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 402.571 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 4.45 |
LogP (Chemaxon): | 3.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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