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Chemical ID: 6668079
Chemical ID:
6668079
Name [?]:
(4-bromo-2,5-dimethyl-phenyl) (2,3-dichlorophenyl)aminoformate
SMILES [?]:
Cc1cc(c(cc1Br)C)OC(=O)Nc2cccc(c2Cl)Cl
InChi [?]:
InChI=1/C15H12BrCl2NO2/c1-8-7-13(9(2)6-10(8)16)21-15(20)19-12-5-3-4-11(17)14(12)18/h3-7H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,9,16,17,15,6,3,2,5,7,18,14,4,19,11,8,21,20,13,12,10/rA:21nCCCCCCCBrCOCONCCCCCCClCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12BrCl2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.9025 |
Area: | 516.796 |
Solvation: | -1.01736 |
Coulombic: | -36.1405 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 389.071 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.51 |
LogP (Chemaxon): | 6.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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