Chemical ID: 6689147

c1(c(c(c(c(c1Br)Br)C(=O)O)Br)Br)C(=O)O
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

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