Chemical ID: 6668200

Cc1cc(ccc1NC(=O)Oc2cc(c(cc2C)Br)C)Cl
Chemical ID:
6668200
Name [?]:
(4-bromo-2,5-dimethyl-phenyl) (4-chloro-2-methyl-phenyl)aminoformate
SMILES [?]:
Cc1cc(ccc1NC(=O)Oc2cc(c(cc2C)Br)C)Cl
InChi [?]:
InChI=1/C16H15BrClNO2/c1-9-8-15(11(3)7-13(9)17)21-16(20)19-14-5-4-12(18)6-10(14)2/h4-8H,1-3H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:20,1,18,5,6,3,16,13,14,2,17,4,15,7,12,9,19,21,8,10,11/rA:21nCCCCCCCNCOOCCCCCCCBrCCl/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:11.7214
Area:513.583
Solvation:-1.11818
Coulombic:-35.4906
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:5.11
LogP (Chemaxon):6.39

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