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Chemical ID: 4513316
Chemical ID:
4513316
Name [?]:
3,5-dichloro-2-hydroxy-N-(2-nitrophenyl)-benzamide
SMILES [?]:
c1ccc(c(c1)NC(=O)c2cc(cc(c2O)Cl)Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C13H8Cl2N2O4/c14-7-5-8(12(18)9(15)6-7)13(19)16-10-3-1-2-4-11(10)17(20)21/h1-6,18H,(H,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,11,13,12,10,14,5,4,15,8,18,17,7,19,16,9,20,21/E:(20,21)/CRV:17.5/rA:21nCCCCCCNCOCCCCCCOClClN+OO-/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;d11;s12;d13;d10s14;s15;s14;s12;s4;d19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H8Cl2N2O4 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.10288 |
Area: | 488.566 |
Solvation: | -7.11127 |
Coulombic: | -51.2314 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.119 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 4.67 |
LogP (Chemaxon): | 3.81 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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