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Chemical ID: 6667930
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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