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6-Bromo-2-hydroxy-3-methoxybenzaldehyde

CAT: 0607-C7073-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-C7073-50Size:50 mg
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CAS Number
20035-41-0
Product Name Alternative
6-bromo-2-hydroxy-3-methoxybenzaldehyde
Sequence
NSC95682
Field of Research
Cell Cycle DNA Damage IRE1
Purity
0.9994
Solubility
≥41.7 mg/mL in DMSO; ≥8.76 mg/mL in EtOH with ultrasonic; insoluble in H2O
Smiles
COC1=CC=C(Br)C(C=O)=C1O
Molecular Formula
C8H7BrO3
Molecular Weight
231.04
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

6-Bromo-2-hydroxy-3-methoxybenzaldehyde
CAS Number20035-41-0
PubChem CID262237
IUPAC Name6-bromo-2-hydroxy-3-methoxybenzaldehyde
Molecular FormulaC8H7BrO3
Molecular Weight231.04
XLogP2.1
Topological Polar Surface Area46.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count12
Formal Charge0
Complexity162
SMILES
COC1=C(C(=C(C=C1)Br)C=O)O
InChI
InChI=1S/C8H7BrO3/c1-12-7-3-2-6(9)5(4-10)8(7)11/h2-4,11H,1H3
InChIKey
JUPJZUTYDWXZAQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Bromo-2-hydroxy-3-methoxybenzaldehyde
CAS: 20035-41-0
CID: 262237
Formula: C8H7BrO3
MW: 231.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.04
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass229.95786
Monoisotopic Mass229.95786
Topological Polar Surface Area46.5 Ų
Heavy Atom Count12
Formal Charge0
Complexity162
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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