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Chemical ID: 6334878
Chemical ID:
6334878
Name [?]:
N-benzyl-2,2,2-trichloro-acetamide
SMILES [?]:
c1ccc(cc1)CNC(=O)C(Cl)(Cl)Cl
InChi [?]:
InChI=1/C9H8Cl3NO/c10-9(11,12)8(14)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,7,4,9,11,12,13,14,8,10/E:(2,3)(4,5)(10,11,12)/rA:14nCCCCCCCNCOCClClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s11;s11;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C9H8Cl3NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.18046 |
Area: | 417.874 |
Solvation: | -1.2664 |
Coulombic: | -27.3536 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 252.524 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.53 |
LogP (Chemaxon): | 2.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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