Chemical ID: 6668079

Cc1cc(c(cc1Br)C)OC(=O)Nc2cccc(c2Cl)Cl
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

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