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4-Bromo-3-hydroxypyridine

CAT: 0572-TRC-B684473-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B684473-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
161417-28-3
Hazard Statement
Harmful if swallowed.
Smiles
Oc1cnccc1Br
Molecular Formula
C5 H4 Br N O
Molecular Weight
174
InChI
InChI=1S/C5H4BrNO/c6-4-1-2-7-3-5(4)8/h1-3,8H
Additionnal Information
IUPAC name: 4-bromopyridin-3-ol
Shipping Conditions
Room Temperature
Storage Conditions
-20°C

Chemical Information

4-Bromopyridin-3-ol
CAS Number161417-28-3
PubChem CID2762429
IUPAC Name4-bromopyridin-3-ol
Molecular FormulaC5H4BrNO
Molecular Weight174.00
XLogP1.2
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity78
SMILES
C1=CN=CC(=C1Br)O
InChI
InChI=1S/C5H4BrNO/c6-4-1-2-7-3-5(4)8/h1-3,8H
InChIKey
YCVSFCXUHPVAFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromopyridin-3-ol
CAS: 161417-28-3
CID: 2762429
Formula: C5H4BrNO
MW: 174.00
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight174.00
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass172.94763
Monoisotopic Mass172.94763
Topological Polar Surface Area33.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity78.8
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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