Chemical ID: 6668076

Cc1cc(c(cc1C)Br)OC(=O)Nc2ccccc2C(F)(F)F
Chemical ID:
6668076
Name [?]:
(2-bromo-4,5-dimethyl-phenyl) [2-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
Cc1cc(c(cc1C)Br)OC(=O)Nc2ccccc2C(F)(F)F
InChi [?]:
InChI=1/C16H13BrF3NO2/c1-9-7-12(17)14(8-10(9)2)23-15(22)21-13-6-4-3-5-11(13)16(18,19)20/h3-8H,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:8,1,17,16,18,15,6,3,7,2,19,5,14,4,11,20,9,21,22,23,13,12,10/E:(18,19,20)/rA:23nCCCCCCCCBrOCONCCCCCCCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s4;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H13BrF3NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.6691
Area:497.09
Solvation:-1.75812
Coulombic:-53.89
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:388.179
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.61
LogP (Chemaxon):6.29

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