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Chemical ID: 7242549
Chemical ID:
7242549
Name [?]:
5-bromo-2-hydroxy-benzene-1,3-dicarbaldehyde
SMILES [?]:
c1c(cc(c(c1C=O)O)C=O)Br
InChi [?]:
InChI=1/C8H5BrO3/c9-7-1-5(3-10)8(12)6(2-7)4-11/h1-4,12H
InChi Info:
AuxInfo=1/0/N:1,3,7,10,6,4,2,5,12,8,11,9/E:(1,2)(3,4)(5,6)(10,11)/rA:12nCCCCCCCOOCOBr/rB:s1;d2;s3;d4;d1s5;s6;d7;s5;s4;d10;s2;/rC:;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C8H5BrO3 |
All Atoms: | 17 |
Heavy Atoms: | 12 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 4.80437 |
Area: | 338.953 |
Solvation: | -3.66946 |
Coulombic: | -29.7367 |
Bond Count [?]
All: | 12 |
Single: | 7 |
Double: | 5 |
Rotors: | 2 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 2.45 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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