Chemical ID: 5167985

CC(CC(=O)O)c1cc(c(cc1Br)OC)OC
Chemical ID:
5167985
Name [?]:
3-(2-bromo-4,5-dimethoxy-phenyl)butanoic acid
SMILES [?]:
CC(CC(=O)O)c1cc(c(cc1Br)OC)OC
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H15BrO4
All Atoms:17
Heavy Atoms:17
Chiral Atoms:1
ZAP Information [?]
Total:5.56871
Area:432.849
Solvation:-5.25252
Coulombic:-39.586
Bond Count [?]
All:17
Single:13
Double:4
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:303.149
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.48
LogP (Chemaxon):2.69

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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