Chemical ID: 7123815

COc1cc(cc(c1OCC(=O)[O-])Br)C=O
Chemical ID:
7123815
Name [?]:
2-(2-bromo-4-formyl-6-methoxy-phenoxy)acetate
SMILES [?]:
COc1cc(cc(c1OCC(=O)[O-])Br)C=O
InChi [?]:
InChI=1/C10H9BrO5/c1-15-8-3-6(4-12)2-7(11)10(8)16-5-9(13)14/h2-4H,5H2,1H3,(H,13,14)/p-1
InChi Info:
AuxInfo=1/1/N:1,6,4,15,10,5,7,3,11,8,14,16,12,13,2,9/E:(13,14)/rA:16nCOCCCCCCOCCOO-BrCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s7;s5;d15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8BrO5-
All Atoms:24
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-38.8083
Area:411.984
Solvation:-49.1079
Coulombic:-19.5173
Bond Count [?]
All:16
Single:11
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:288.072
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:0.98
LogP (Chemaxon):1.55

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