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Chemical ID: 6674925
Chemical ID:
6674925
Name [?]:
[3-(trifluoromethyl)phenyl] (2,3-dichlorophenyl)aminoformate
SMILES [?]:
c1cc(cc(c1)OC(=O)Nc2cccc(c2Cl)Cl)C(F)(F)F
InChi [?]:
InChI=1/C14H8Cl2F3NO2/c15-10-5-2-6-11(12(10)16)20-13(21)22-9-4-1-3-8(7-9)14(17,18)19/h1-7H,(H,20,21)
InChi Info:
AuxInfo=1/1/N:1,13,2,6,14,12,4,3,5,15,11,16,8,19,18,17,20,21,22,10,9,7/E:(17,18,19)/rA:22nCCCCCCOCONCCCCCCClClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s16;s15;s3;s19;s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H8Cl2F3NO2 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.3219 |
Area: | 497.415 |
Solvation: | -2.11352 |
Coulombic: | -53.879 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 350.119 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 5.18 |
LogP (Chemaxon): | 5.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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