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Chemical ID: 4473076
Chemical ID:
4473076
Name [?]:
2-(2-bromo-4-chloro-phenoxy)-N-[2-chloro-5-(trifluoromethyl)phenyl]-acetamide
SMILES [?]:
c1cc(c(cc1C(F)(F)F)NC(=O)COc2ccc(cc2Br)Cl)Cl
InChi [?]:
InChI=1/C15H9BrCl2F3NO2/c16-10-6-9(17)2-4-13(10)24-7-14(23)22-12-5-8(15(19,20)21)1-3-11(12)18/h1-6H,7H2,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,18,2,17,5,20,14,6,19,21,3,4,16,12,7,22,23,24,8,9,10,11,13,15/E:(19,20,21)/rA:24nCCCCCCCFFFNCOCOCCCCCCBrClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;s7;s7;s4;s11;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s21;s19;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H9BrCl2F3NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.21074 |
Area: | 559.218 |
Solvation: | -4.7697 |
Coulombic: | -47.3267 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 443.042 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.64 |
LogP (Chemaxon): | 4.94 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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