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Chemical ID: 6568747
Chemical ID:
6568747
Name [?]:
2-chloro-N-(3-fluoro-4-methyl-phenyl)-acetamide
SMILES [?]:
Cc1ccc(cc1F)NC(=O)CCl
InChi [?]:
InChI=1/C9H9ClFNO/c1-6-2-3-7(4-8(6)11)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,12,2,5,7,10,13,8,9,11/rA:13nCCCCCCCFNCOCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H9ClFNO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 5.85995 |
Area: | 359.188 |
Solvation: | -3.11975 |
Coulombic: | -23.562 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.625 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 1.9 |
LogP (Chemaxon): | 2.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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