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Chemical ID: 6689147
Chemical ID:
6689147
Name [?]:
2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid
SMILES [?]:
c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O
InChi [?]:
InChI=1/C8H2Br4O4/c9-3-1(7(13)14)4(10)6(12)2(5(3)11)8(15)16/h(H,13,14)(H,15,16)
InChi Info:
AuxInfo=1/1/N:1,4,2,6,3,5,14,9,13,7,12,8,15,16,10,11/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14,15,16)/gE:(1,2)/rA:16nCCCCCCBrBrCOOBrBrCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;d9;s9;s3;s2;s1;d14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H2Br4O4 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.56608 |
Area: | 410.832 |
Solvation: | -2.70472 |
Coulombic: | -51.7594 |
Bond Count [?]
All: | 16 |
Single: | 11 |
Double: | 5 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 481.715 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 4 |
XLogP: | 4.44 |
LogP (Chemaxon): | 4.25 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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