Chemical ID: 4733221

CC(C)(C)c1ccc(c(c1)Cl)NC(=O)C(Cl)(Cl)Cl
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

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