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5034-74-2 | 5-Bromo-2-hydroxy-3-methoxybenzaldehyde
CAS No: 5034-74-2 Catalog No: AG003MH6 MDL No:MFCD00016593
Product Description
Catalog Number:
AG003MH6
Chemical Name:
5-Bromo-2-hydroxy-3-methoxybenzaldehyde
CAS Number:
5034-74-2
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
MDL Number:
MFCD00016593
IUPAC Name:
5-bromo-2-hydroxy-3-methoxybenzaldehyde
InChI:
InChI=1S/C8H7BrO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3
InChI Key:
MMFKBTPDEVLIOR-UHFFFAOYSA-N
SMILES:
COc1cc(Br)cc(c1O)C=O
NSC Number:
95683
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.045g/mol
Monoisotopic Mass:
229.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| 5-Bromo-2-hydroxy-4-methyl-benzaldehyde inhibited LPS-induced production of pro-inflammatory mediators through the inactivation of ERK, p38, and NF-κB pathways in RAW 264.7 macrophages. | Chemico-biological interactions 20161025 |
| {4,4'-Dibromo-6,6'-dimeth-oxy-2,2'-[1,2-phenyl-enebis(nitrilo-methanylyl-idene)]-κO,N,N',O}nickel(II). | Acta crystallographica. Section E, Structure reports online 20120301 |
| (2E)-2-(5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene)-N-cyclo-hexyl-hydrazine-carbothio-amide. | Acta crystallographica. Section E, Structure reports online 20120301 |
| 4-Bromo-2-meth-oxy-6-(1-phenyl-1H-benzimidazol-2-yl)phenol. | Acta crystallographica. Section E, Structure reports online 20120301 |
| (E)-N'-(5-Bromo-2-hy-droxy-3-meth-oxy-benzyl-idene)-1H-indole-3-carbo-hydrazide. | Acta crystallographica. Section E, Structure reports online 20111001 |
| Potent and selective inhibitors of the inositol-requiring enzyme 1 endoribonuclease. | The Journal of biological chemistry 20110408 |
| Aqua-{4,4'-dibromo-6,6'-dimeth-oxy-2,2'-[ethane-1,2-diylbis(nitrilo-methyl-idyne)]diphenolato}copper(II). | Acta crystallographica. Section E, Structure reports online 20091201 |
| N'-(5-Bromo-2-hydr-oxy-3-methoxy-benzyl-idene)-4-hydr-oxy-3-methoxy-benzohydrazide dihydrate. | Acta crystallographica. Section E, Structure reports online 20090901 |
| N'-(5-Bromo-2-hydr-oxy-3-methoxy-benzyl-idene)isonicotinohydrazide. | Acta crystallographica. Section E, Structure reports online 20081001 |
| A nanoscale slipped sandwich of Tb(10)-stabilization of a benzaldehyde methyl hemiacetyl. | Dalton transactions (Cambridge, England : 2003) 20040621 |
| Total synthesis of ailanthoidol and precursor XH14 by Stille coupling. | The Journal of organic chemistry 20030404 |
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