Chemical ID: 7242549

c1c(cc(c(c1C=O)O)C=O)Br
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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