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Chemical ID: 6672434
Chemical ID:
6672434
Name [?]:
(4-chloro-3,5-dimethyl-phenyl) [2-chloro-5-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
Cc1cc(cc(c1Cl)C)OC(=O)Nc2cc(ccc2Cl)C(F)(F)F
InChi [?]:
InChI=1/C16H12Cl2F3NO2/c1-8-5-11(6-9(2)14(8)18)24-15(23)22-13-7-10(16(19,20)21)3-4-12(13)17/h3-7H,1-2H3,(H,22,23)
InChi Info:
AuxInfo=1/1/N:1,9,17,18,3,5,15,2,6,16,4,19,14,7,11,21,20,8,22,23,24,13,12,10/E:(1,2)(5,6)(8,9)(19,20,21)/rA:24nCCCCCCCClCOCONCCCCCCClCFFF/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s19;s16;s21;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12Cl2F3NO2 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3867 |
Area: | 542.517 |
Solvation: | -2.17626 |
Coulombic: | -53.4722 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 378.173 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.63 |
LogP (Chemaxon): | 6.53 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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