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Chemical ID: 6362170
Chemical ID:
6362170
Name [?]:
2,6-dichloro-N-(4-chloro-2-fluoro-phenyl)-benzamide
SMILES [?]:
c1cc(c(c(c1)Cl)C(=O)Nc2ccc(cc2F)Cl)Cl
InChi [?]:
InChI=1/C13H7Cl3FNO/c14-7-4-5-11(10(17)6-7)18-13(19)12-8(15)2-1-3-9(12)16/h1-6H,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,12,15,14,3,5,16,11,4,8,18,19,7,17,10,9/E:(2,3)(8,9)(15,16)/rA:19nCCCCCCClCONCCCCCCFClCl/rB:s1;d2;s3;d4;d1s5;s5;s4;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s14;s3;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H7Cl3FNO |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.4764 |
Area: | 470.496 |
Solvation: | -2.286 |
Coulombic: | -27.2751 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 318.557 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 5.02 |
LogP (Chemaxon): | 4.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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