Chemical ID: 6668081

Cc1cccc(c1NC(=O)Oc2cc(c(c(c2)C)Br)C)C
Chemical ID:
6668081
Name [?]:
(4-bromo-3,5-dimethyl-phenyl) (2,6-dimethylphenyl)aminoformate
SMILES [?]:
Cc1cccc(c1NC(=O)Oc2cc(c(c(c2)C)Br)C)C
InChi [?]:
InChI=1/C17H18BrNO2/c1-10-6-5-7-11(2)16(10)19-17(20)21-14-8-12(3)15(18)13(4)9-14/h5-9H,1-4H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,18,20,4,3,5,17,13,2,6,16,14,12,15,7,9,19,8,10,11/E:(1,2)(3,4)(6,7)(8,9)(10,11)(12,13)/rA:21nCCCCCCCNCOOCCCCCCCBrCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;s15;s14;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18BrNO2
All Atoms:21
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:10.9698
Area:500.322
Solvation:-1.53829
Coulombic:-34.7076
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:348.234
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.72
LogP (Chemaxon):6.34

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