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3-Bromo-2-hydroxy-4-methoxybenzaldehyde

CAT: 0931-TYD-03865-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TYD-03865-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
63638-85-7
Target
Others
Related Pathways
Others
Bioactivity
3-Bromo-2-hydroxy-4-methoxybenzaldehyde is a pharmaceutical intermediate used in the synthesis of various active compounds.
Smiles
O=CC1=CC=C(OC)C(Br)=C1O
Molecular Formula
C8H7BrO3
Molecular Weight
231.04
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3-Bromo-2-hydroxy-4-methoxybenzaldehyde
CAS Number63638-85-7
PubChem CID14120945
IUPAC Name3-bromo-2-hydroxy-4-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)C=O)O)Br
InChI
InChI=1S/C8H7BrO3/c1-12-6-3-2-5(4-10)8(11)7(6)9/h2-4,11H,1H3
InChIKey
CBUUYFPVPUGOLS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-2-hydroxy-4-methoxybenzaldehyde
CAS: 63638-85-7
CID: 14120945
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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Alternative Products

CatalogName
HY-401031-013-Bromo-2-hydroxy-4-methoxybenzaldehyde
OR80356-012-Bromo-3-hydroxy-4-methoxybenzaldehyde
OR551552-Bromo-4-hydroxy-3-methoxybenzaldehyde
OR1100701-014-bromo-3-hydroxy-2-methoxybenzaldehyde
sc-2300372-Bromo-5-hydroxy-4-methoxybenzaldehyde
OR1162-013-Bromo-4-hydroxy-5-methoxybenzaldehyde
OR471078-012-Bromo-6-hydroxy-4-methoxybenzaldehyde
OR52694-015-Bromo-2-hydroxy-4-methoxybenzaldehyde
OR1035787-014-Bromo-2-hydroxy-5-methoxybenzaldehyde
OR1098283-015-Bromo-4-hydroxy-2-methoxybenzaldehyde

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