Chemical ID: 4295659

CCOC(=O)c1conc1c2ccc(cc2)Br
Chemical ID:
4295659
Name [?]:
ethyl 3-(4-bromophenyl)isoxazole-4-carboxylate
SMILES [?]:
CCOC(=O)c1conc1c2ccc(cc2)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C12H10BrNO3
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.26554
Area:426.326
Solvation:-2.39262
Coulombic:-23.9063
Bond Count [?]
All:18
Single:12
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:296.117
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.68
LogP (Chemaxon):3.32

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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