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Chemical ID: 5123691
Chemical ID:
5123691
Name [?]:
2-(4-chloro-3,5-dimethyl-phenoxy)-N,N-dimethyl-acetamide
SMILES [?]:
Cc1cc(cc(c1Cl)C)OCC(=O)N(C)C
InChi [?]:
InChI=1/C12H16ClNO2/c1-8-5-10(6-9(2)12(8)13)16-7-11(15)14(3)4/h5-6H,7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,9,15,16,3,5,11,2,6,4,12,7,8,14,13,10/E:(1,2)(3,4)(5,6)(8,9)/rA:16nCCCCCCCClCOCCONCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s12;s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H16ClNO2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.01818 |
Area: | 428.429 |
Solvation: | -3.69254 |
Coulombic: | -23.9594 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 241.714 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 2.33 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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