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Chemical ID: 4736278
Chemical ID:
4736278
Name [?]:
2-chloro-N-(3,4-dichlorophenyl)-acetamide
SMILES [?]:
c1cc(c(cc1NC(=O)CCl)Cl)Cl
InChi [?]:
InChI=1/C8H6Cl3NO/c9-4-8(13)12-5-1-2-6(10)7(11)3-5/h1-3H,4H2,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,2,5,10,6,3,4,8,11,13,12,7,9/rA:13nCCCCCCNCOCClClCl/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s4;s3;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6Cl3NO |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.31811 |
Area: | 392.442 |
Solvation: | -2.49293 |
Coulombic: | -20.6092 |
Bond Count [?]
All: | 13 |
Single: | 9 |
Double: | 4 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 238.497 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.76 |
LogP (Chemaxon): | 3.0 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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