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18011-67-1 | 1,3-Benzenediol, 2,4-dibromo-
CAS No: 18011-67-1 Catalog No: AG0021P3 MDL No:
Product Description
Catalog Number:
AG0021P3
Chemical Name:
1,3-Benzenediol, 2,4-dibromo-
CAS Number:
18011-67-1
Molecular Formula:
C6H4Br2O2
Molecular Weight:
267.9028
IUPAC Name:
2,4-dibromobenzene-1,3-diol
InChI:
InChI=1S/C6H4Br2O2/c7-3-1-2-4(9)5(8)6(3)10/h1-2,9-10H
InChI Key:
NOBVPWXWXQOUSS-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1O)Br)O
UNII:
6590457FP4
NSC Number:
36933
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.856g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
267.904g/mol
Monoisotopic Mass:
265.858g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Emodin targets the beta-hydroxyacyl-acyl carrier protein dehydratase from Helicobacter pylori: enzymatic inhibition assay with crystal structural and thermodynamic characterization. | BMC microbiology 20090101 |
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