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Chemical ID: 5217503
Chemical ID:
5217503
Name [?]:
(2-chloro-4-methoxy-phenyl) [4-chloro-3-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
COc1ccc(c(c1)Cl)OC(=O)Nc2ccc(c(c2)C(F)(F)F)Cl
InChi [?]:
InChI=1/C15H10Cl2F3NO3/c1-23-9-3-5-13(12(17)7-9)24-14(22)21-8-2-4-11(16)10(6-8)15(18,19)20/h2-7H,1H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,15,4,16,5,19,8,14,3,18,17,7,6,11,20,24,9,21,22,23,13,12,2,10/E:(18,19,20)/rA:24nCOCCCCCCClOCONCCCCCCCFFFCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s6;s10;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s20;s20;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H10Cl2F3NO3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.78031 |
Area: | 532.66 |
Solvation: | -3.53618 |
Coulombic: | -59.2666 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 380.145 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.1 |
LogP (Chemaxon): | 5.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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