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Chemical ID: 6672212
Chemical ID:
6672212
Name [?]:
(4-formyl-2-methoxy-phenyl) [4-chloro-2-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
COc1cc(ccc1OC(=O)Nc2ccc(cc2C(F)(F)F)Cl)C=O
InChi [?]:
InChI=1/C16H11ClF3NO4/c1-24-14-6-9(8-22)2-5-13(14)25-15(23)21-12-4-3-10(17)7-11(12)16(18,19)20/h2-8H,1H3,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,6,15,14,7,4,17,24,5,16,18,13,8,3,10,19,23,20,21,22,12,25,11,2,9/E:(18,19,20)/rA:25nCOCCCCCCOCONCCCCCCCFFFClCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s19;s19;s16;s5;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H11ClF3NO4 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.25588 |
Area: | 539.569 |
Solvation: | -5.23336 |
Coulombic: | -65.8098 |
Bond Count [?]
All: | 26 |
Single: | 18 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 373.711 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.9 |
LogP (Chemaxon): | 4.5 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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