Chemical ID: 7227733

c1cc(c(cc1C(=O)[O-])Br)C(=O)[O-]
Chemical ID:
7227733
Name [?]:
2-bromobenzene-1,4-dicarboxylate
SMILES [?]:
c1cc(c(cc1C(=O)[O-])Br)C(=O)[O-]
InChi [?]:
InChI=1/C8H5BrO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,(H,10,11)(H,12,13)/p-2
InChi Info:
AuxInfo=1/1/N:1,2,5,6,3,4,7,11,10,8,9,12,13/E:(10,11)(12,13)/rA:13nCCCCCCCOO-BrCOO-/rB:s1;d2;s3;d4;d1s5;s6;d7;s7;s4;s3;d11;s11;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H3BrO4-2
All Atoms:16
Heavy Atoms:13
Chiral Atoms:None
ZAP Information [?]
Total:-96.1658
Area:341.378
Solvation:-104.7
Coulombic:20.6013
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.09
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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