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Chemical ID: 4196269
Chemical ID:
4196269
Name [?]:
2,3-dichloro-N-(4-methyl-2-nitro-phenyl)-benzamide
SMILES [?]:
Cc1ccc(c(c1)[N+](=O)[O-])NC(=O)c2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C14H10Cl2N2O3/c1-8-5-6-11(12(7-8)18(20)21)17-14(19)9-3-2-4-10(15)13(9)16/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,16,15,17,3,4,7,2,14,18,5,6,19,12,21,20,11,8,13,9,10/E:(20,21)/CRV:18.5/rA:21nCCCCCCCN+OO-NCOCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s5;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2N2O3 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.43886 |
Area: | 486.166 |
Solvation: | -5.7153 |
Coulombic: | -36.9793 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 325.146 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.09 |
LogP (Chemaxon): | 4.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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