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Chemical ID: 6666542
Chemical ID:
6666542
Name [?]:
(4-chlorophenyl) [3-(trifluoromethyl)phenyl]aminoformate
SMILES [?]:
c1cc(cc(c1)NC(=O)Oc2ccc(cc2)Cl)C(F)(F)F
InChi [?]:
InChI=1/C14H9ClF3NO2/c15-10-4-6-12(7-5-10)21-13(20)19-11-3-1-2-9(8-11)14(16,17)18/h1-8H,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,13,15,12,16,4,3,14,5,11,8,18,17,19,20,21,7,9,10/E:(4,5)(6,7)(16,17,18)/rA:21nCCCCCCNCOOCCCCCCClCFFF/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;s3;s18;s18;s18;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H9ClF3NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62108 |
Area: | 475.65 |
Solvation: | -2.27017 |
Coulombic: | -53.4281 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 315.675 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.56 |
LogP (Chemaxon): | 5.08 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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