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Chemical ID: 5134814
Chemical ID:
5134814
Name [?]:
2-(2,5-dibromophenyl)acetic acid
SMILES [?]:
c1cc(c(cc1Br)CC(=O)O)Br
InChi [?]:
InChI=1/C8H6Br2O2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,5,8,4,6,3,9,7,12,10,11/E:(11,12)/rA:12nCCCCCCBrCCOOBr/rB:s1;d2;s3;d4;d1s5;s6;s4;s8;d9;s9;s3;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H6Br2O2 |
All Atoms: | 12 |
Heavy Atoms: | 12 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.85561 |
Area: | 347.506 |
Solvation: | -1.83205 |
Coulombic: | -26.6034 |
Bond Count [?]
All: | 12 |
Single: | 8 |
Double: | 4 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 293.94 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.05 |
LogP (Chemaxon): | 3.26 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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