Chemical ID: 5848649

Cc1cc(cc(c1Br)C)OCC(=O)NCCO
Chemical ID:
5848649
Name [?]:
2-(4-bromo-3,5-dimethyl-phenoxy)-N-(2-hydroxyethyl)acetamide
SMILES [?]:
Cc1cc(cc(c1Br)C)OCC(=O)NCCO
InChi [?]:
InChI=1/C12H16BrNO3/c1-8-5-10(6-9(2)12(8)13)17-7-11(16)14-3-4-15/h5-6,15H,3-4,7H2,1-2H3,(H,14,16)
InChi Info:
AuxInfo=1/1/N:1,9,15,16,3,5,11,2,6,4,12,7,8,14,17,13,10/E:(1,2)(5,6)(8,9)/rA:17nCCCCCCCBrCOCCONCCO/rB:s1;s2;d3;s4;d5;d2s6;s7;s6;s4;s10;s11;d12;s12;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16BrNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.53421
Area:454.516
Solvation:-4.8287
Coulombic:-44.4958
Bond Count [?]
All:17
Single:13
Double:4
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.164
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.65
LogP (Chemaxon):2.0

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Descriptor Annotations

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