Chemical ID: 7145463

COc1cc(c(c(c1OCC(=O)O)Br)Br)C=O
Chemical ID:
7145463
Name [?]:
2-(2,3-dibromo-4-formyl-6-methoxy-phenoxy)acetic acid
SMILES [?]:
COc1cc(c(c(c1OCC(=O)O)Br)Br)C=O
InChi [?]:
InChI=1/C10H8Br2O5/c1-16-6-2-5(3-13)8(11)9(12)10(6)17-4-7(14)15/h2-3H,4H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,4,16,10,5,3,11,6,7,8,15,14,17,12,13,2,9/E:(14,15)/rA:17nCOCCCCCCOCCOOBrBrCO/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s7;s6;s5;d16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H8Br2O5
All Atoms:25
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:3.969
Area:427.935
Solvation:-6.72938
Coulombic:-46.0009
Bond Count [?]
All:17
Single:12
Double:5
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:367.976
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.26
LogP (Chemaxon):2.34

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