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Chemical ID: 6669368
Chemical ID:
6669368
Name [?]:
(2-bromo-4-chloro-6-methyl-phenyl) (4-fluorophenyl)aminoformate
SMILES [?]:
Cc1cc(cc(c1OC(=O)Nc2ccc(cc2)F)Br)Cl
InChi [?]:
InChI=1/C14H10BrClFNO2/c1-8-6-9(16)7-12(15)13(8)20-14(19)18-11-4-2-10(17)3-5-11/h2-7H,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,14,16,13,17,3,5,2,4,15,12,6,7,9,19,20,18,11,10,8/E:(2,3)(4,5)/rA:20nCCCCCCCOCONCCCCCCFBrCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;s6;s4;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10BrClFNO2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.62768 |
Area: | 478.426 |
Solvation: | -2.33297 |
Coulombic: | -38.0511 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 358.59 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.82 |
LogP (Chemaxon): | 5.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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