Chemical ID: 4344766

Cc1cc(ccc1Br)OCC(=O)NCCOC
Chemical ID:
4344766
Name [?]:
2-(4-bromo-3-methyl-phenoxy)-N-(2-methoxyethyl)acetamide
SMILES [?]:
Cc1cc(ccc1Br)OCC(=O)NCCOC
InChi [?]:
InChI=1/C12H16BrNO3/c1-9-7-10(3-4-11(9)13)17-8-12(15)14-5-6-16-2/h3-4,7H,5-6,8H2,1-2H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,5,6,14,15,3,10,2,4,7,11,8,13,12,16,9/rA:17nCCCCCCCBrOCCONCCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s4;s9;s10;d11;s11;s13;s14;s15;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H16BrNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.44501
Area:464.194
Solvation:-5.15984
Coulombic:-35.8681
Bond Count [?]
All:17
Single:13
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:302.164
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.94
LogP (Chemaxon):1.81

Name Annotations

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Descriptor Annotations

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