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20041-64-9 | 2,3-DIBROMO-5-ETHOXY-6-HYDROXYBENZALDEHYDE
CAS No: 20041-64-9 Catalog No: AG00BD0X MDL No:MFCD00297095
Product Description
Catalog Number:
AG00BD0X
Chemical Name:
2,3-DIBROMO-5-ETHOXY-6-HYDROXYBENZALDEHYDE
CAS Number:
20041-64-9
Molecular Formula:
C9H8Br2O3
Molecular Weight:
323.9660
MDL Number:
MFCD00297095
IUPAC Name:
2,3-dibromo-5-ethoxy-6-hydroxybenzaldehyde
InChI:
InChI=1S/C9H8Br2O3/c1-2-14-7-3-6(10)8(11)5(4-12)9(7)13/h3-4,13H,2H2,1H3
InChI Key:
MZAISYPWQNBWED-UHFFFAOYSA-N
SMILES:
CCOc1cc(Br)c(c(c1O)C=O)Br
NSC Number:
750187
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.882g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.968g/mol
Monoisotopic Mass:
321.884g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Potent and selective inhibitors of the inositol-requiring enzyme 1 endoribonuclease. | The Journal of biological chemistry 20110408 |
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