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Chemical ID: 4233607
Chemical ID:
4233607
Name [?]:
2,2,2-trichloro-N-[(2-chlorophenyl)methyl]acetamide
SMILES [?]:
c1ccc(c(c1)CNC(=O)C(Cl)(Cl)Cl)Cl
InChi [?]:
InChI=1/C9H7Cl4NO/c10-7-4-2-1-3-6(7)5-14-8(15)9(11,12)13/h1-4H,5H2,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,7,5,4,9,11,15,12,13,14,8,10/E:(11,12,13)/rA:15nCCCCCCCNCOCClClClCl/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s9;s11;s11;s11;s4;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H7Cl4NO |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.59732 |
Area: | 435.379 |
Solvation: | -1.28715 |
Coulombic: | -27.5375 |
Bond Count [?]
All: | 15 |
Single: | 11 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 286.969 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.15 |
LogP (Chemaxon): | 3.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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