Chemical ID: 5154305

c1c(cc(c(c1O)O)Br)C=O
Chemical ID:
5154305
Name [?]:
3-bromo-4,5-dihydroxy-benzaldehyde
SMILES [?]:
c1c(cc(c(c1O)O)Br)C=O
InChi [?]:
InChI=1/C7H5BrO3/c8-5-1-4(3-9)2-6(10)7(5)11/h1-3,10-11H
InChi Info:
AuxInfo=1/0/N:3,1,10,2,4,6,5,9,11,7,8/rA:11nCCCCCCOOBrCO/rB:s1;d2;s3;d4;d1s5;s6;s5;s4;s2;d10;/rC:;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5BrO3
All Atoms:11
Heavy Atoms:11
Chiral Atoms:0
ZAP Information [?]
Total:3.76661
Area:317.311
Solvation:-4.16617
Coulombic:-38.129
Bond Count [?]
All:11
Single:7
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:217.017
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:2.13
LogP (Chemaxon):1.95

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