Chemical ID: 5138375

c1c(c(cc(c1Cl)C(=O)O)Br)C(=O)O
Chemical ID:
5138375
Name [?]:
2-bromo-5-chloro-benzene-1,4-dicarboxylic acid
SMILES [?]:
c1c(c(cc(c1Cl)C(=O)O)Br)C(=O)O
InChi [?]:
InChI=1/C8H4BrClO4/c9-5-1-4(8(13)14)6(10)2-3(5)7(11)12/h1-2H,(H,11,12)(H,13,14)
InChi Info:
AuxInfo=1/1/N:4,1,2,5,3,6,12,8,11,7,13,14,9,10/E:(11,12)(13,14)/rA:14nCCCCCCClCOOBrCOO/rB:s1;d2;s3;d4;d1s5;s6;s5;d8;s8;s3;s2;d12;s12;/rC:;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C8H4BrClO4
All Atoms:14
Heavy Atoms:14
Chiral Atoms:0
ZAP Information [?]
Total:6.44059
Area:368.543
Solvation:-2.77297
Coulombic:-53.5861
Bond Count [?]
All:14
Single:9
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:279.472
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:2.67
LogP (Chemaxon):2.39

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Descriptor Annotations

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