Chemical ID: 6672212

COc1cc(ccc1OC(=O)Nc2ccc(cc2C(F)(F)F)Cl)C=O
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

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