Chemical ID: 4345835

c1ccc(c(c1)C(=O)Nc2ccc(cc2Cl)I)[N+](=O)[O-]
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

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