Chemical ID: 4627095

COC(=O)c1cc(no1)c2cccc(c2)Br
Chemical ID:
4627095
Name [?]:
methyl 3-(3-bromophenyl)isoxazole-5-carboxylate
SMILES [?]:
COC(=O)c1cc(no1)c2cccc(c2)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C11H8BrNO3
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.7242
Area:416.793
Solvation:-2.69562
Coulombic:-25.5571
Bond Count [?]
All:17
Single:11
Double:6
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:282.09
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.35
LogP (Chemaxon):2.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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