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Chemical ID: 4230951
Chemical ID:
4230951
Name [?]:
2,3-dichloro-N-(2-methoxy-4-nitro-phenyl)-benzamide
SMILES [?]:
COc1cc(ccc1NC(=O)c2cccc(c2Cl)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C14H10Cl2N2O4/c1-22-12-7-8(18(20)21)5-6-11(12)17-14(19)9-3-2-4-10(15)13(9)16/h2-7H,1H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,6,7,4,5,12,16,8,3,17,10,19,18,9,20,11,21,22,2/E:(20,21)/CRV:18.5/rA:22nCOCCCCCCNCOCCCCCCClClN+OO-/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s16;s5;d20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10Cl2N2O4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 4.3135 |
Area: | 510.42 |
Solvation: | -8.44699 |
Coulombic: | -39.9844 |
Bond Count [?]
All: | 23 |
Single: | 15 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 341.146 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 3.92 |
LogP (Chemaxon): | 3.84 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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