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20035-41-0 | Benzaldehyde, 6-bromo-2-hydroxy-3-methoxy-
CAS No: 20035-41-0 Catalog No: AG002CPF MDL No:MFCD00046152
Product Description
Catalog Number:
AG002CPF
Chemical Name:
Benzaldehyde, 6-bromo-2-hydroxy-3-methoxy-
CAS Number:
20035-41-0
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
MDL Number:
MFCD00046152
IUPAC Name:
6-bromo-2-hydroxy-3-methoxybenzaldehyde
InChI:
InChI=1S/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3
InChI Key:
JUPJZUTYDWXZAQ-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1O)C=O)Br
NSC Number:
95682
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 |
|---|---|
| Potent and selective inhibitors of the inositol-requiring enzyme 1 endoribonuclease. | The Journal of biological chemistry 20110408 |
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