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Chemical ID: 4733221
Chemical ID:
4733221
Name [?]:
2,2,2-trichloro-N-(2-chloro-4-tert-butyl-phenyl)-acetamide
SMILES [?]:
CC(C)(C)c1ccc(c(c1)Cl)NC(=O)C(Cl)(Cl)Cl
InChi [?]:
InChI=1/C12H13Cl4NO/c1-11(2,3)7-4-5-9(8(13)6-7)17-10(18)12(14,15)16/h4-6H,1-3H3,(H,17,18)
InChi Info:
AuxInfo=1/1/N:1,3,4,6,7,10,5,9,8,13,2,15,11,16,17,18,12,14/E:(1,2,3)(14,15,16)/rA:18nCCCCCCCCCCClNCOCClClCl/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s8;s12;d13;s13;s15;s15;s15;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H13Cl4NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3117 |
Area: | 492.213 |
Solvation: | -0.993577 |
Coulombic: | -27.3893 |
Bond Count [?]
All: | 18 |
Single: | 14 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 329.049 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.83 |
LogP (Chemaxon): | 4.54 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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