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3-Bromo-5-methoxypyridine

CAT: 0572-TRC-B696883-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B696883-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
50720-12-2
Hazard Statement
No Data Available
Purity
>95% (HPLC)
Smiles
COc1cncc(Br)c1
Molecular Formula
C6 H6 Br N O
Molecular Weight
188.022
InChI
InChI=1S/C6H6BrNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3
Additionnal Information
IUPAC name: 3-bromo-5-methoxypyridine
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

3-Bromo-5-methoxypyridine
CAS Number50720-12-2
PubChem CID817163
IUPAC Name3-bromo-5-methoxypyridine
Molecular FormulaC6H6BrNO
Molecular Weight188.02
XLogP1.5
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity89
SMILES
COC1=CC(=CN=C1)Br
InChI
InChI=1S/C6H6BrNO/c1-9-6-2-5(7)3-8-4-6/h2-4H,1H3
InChIKey
FZWUIWQMJFAWJW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-5-methoxypyridine
CAS: 50720-12-2
CID: 817163
Formula: C6H6BrNO
MW: 188.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.02
XLogP31.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass186.96328
Monoisotopic Mass186.96328
Topological Polar Surface Area22.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity89.1
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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