Chemical ID: 6832057

c1cc(oc1C(=O)[O-])Br
Chemical ID:
6832057
Name [?]:
5-bromofuran-2-carboxylate
SMILES [?]:
c1cc(oc1C(=O)[O-])Br
InChi [?]:
InChI=1/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)/p-1
InChi Info:
AuxInfo=1/1/N:1,2,5,3,6,9,7,8,4/E:(7,8)/rA:9nCCCOCCOO-Br/rB:s1;d2;s3;d1s4;s5;d6;s6;s3;/rC:;;;;;;;;;

Chemical Details

Atom Count
Formula:C5H2BrO3-
All Atoms:11
Heavy Atoms:9
Chiral Atoms:0
ZAP Information [?]
Total:-37.2499
Area:282.621
Solvation:-44.3154
Coulombic:-8.98648
Bond Count [?]
All:9
Single:6
Double:3
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:189.972
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.66
LogP (Chemaxon):0.94

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Descriptor Annotations

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