Chemical ID: 6668084

Cc1cc(ccc1NC(=O)Oc2cc(c(cc2Br)C)C)Cl
Chemical ID:
6668084
Name [?]:
(2-bromo-4,5-dimethyl-phenyl) (4-chloro-2-methyl-phenyl)aminoformate
SMILES [?]:
Cc1cc(ccc1NC(=O)Oc2cc(c(cc2Br)C)C)Cl
InChi [?]:
InChI=1/C16H15BrClNO2/c1-9-7-13(17)15(8-10(9)2)21-16(20)19-14-5-4-12(18)6-11(14)3/h4-8H,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:19,20,1,5,6,3,16,13,15,14,2,4,17,7,12,9,18,21,8,10,11/rA:21nCCCCCCCNCOOCCCCCCBrCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;s15;s14;s4;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15BrClNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:11.6733
Area:513.843
Solvation:-1.17273
Coulombic:-35.5811
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:368.653
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.53
LogP (Chemaxon):6.39

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