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Chemical ID: 6668107
Chemical ID:
6668107
Name [?]:
(2-bromo-4-chloro-6-methyl-phenyl) (3-chloro-4-methyl-phenyl)aminoformate
SMILES [?]:
Cc1ccc(cc1Cl)NC(=O)Oc2c(cc(cc2Br)Cl)C
InChi [?]:
InChI=1/C15H12BrCl2NO2/c1-8-3-4-11(7-13(8)18)19-15(20)21-14-9(2)5-10(17)6-12(14)16/h3-7H,1-2H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,21,3,4,15,17,6,2,14,16,5,18,7,13,10,19,20,8,9,11,12/rA:21nCCCCCCCClNCOOCCCCCCBrClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s16;s14;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H12BrCl2NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.5992 |
Area: | 521.569 |
Solvation: | -1.44 |
Coulombic: | -35.2234 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 389.071 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.51 |
LogP (Chemaxon): | 6.44 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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