Chemical ID: 6334878

c1ccc(cc1)CNC(=O)C(Cl)(Cl)Cl
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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