Chemical ID: 6667930

c1cc(cc(c1)NC(=O)Oc2c(cc(cc2Br)Cl)Cl)C(F)(F)F
Chemical ID:
6667930
Name [?]:
(2-bromo-4,6-dichloro-phenyl) [3-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
c1cc(cc(c1)NC(=O)Oc2c(cc(cc2Br)Cl)Cl)C(F)(F)F
InChi [?]:
InChI=1/C14H7BrCl2F3NO2/c15-10-5-8(16)6-11(17)12(10)23-13(22)21-9-3-1-2-7(4-9)14(18,19)20/h1-6H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,6,4,15,13,3,14,5,16,12,11,8,20,17,18,19,21,22,23,7,9,10/E:(18,19,20)/rA:23nCCCCCCNCOOCCCCCCBrClClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s14;s12;s3;s20;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H7BrCl2F3NO2
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:10.7711
Area:522.344
Solvation:-2.28747
Coulombic:-53.1432
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:429.016
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.98
LogP (Chemaxon):6.39

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