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4-Bromo-2-picoline

CAT: 0572-TRC-B685560-250MGSize: 250 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B685560-250MGSize:250 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
22282-99-1
Hazard Statement
Combustible liquid and vapour.
Smiles
Cc1cc(Br)ccn1
Molecular Formula
C6 H6 Br N
Molecular Weight
172.02
InChI
InChI=1S/C6H6BrN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
Additionnal Information
IUPAC name: 4-bromo-2-methylpyridine
Shipping Conditions
Room Temperature

Chemical Information

4-Bromo-2-methylpyridine
CAS Number22282-99-1
PubChem CID2762835
IUPAC Name4-bromo-2-methylpyridine
Molecular FormulaC6H6BrN
Molecular Weight172.02
XLogP1.8
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
CC1=NC=CC(=C1)Br
InChI
InChI=1S/C6H6BrN/c1-5-4-6(7)2-3-8-5/h2-4H,1H3
InChIKey
JFBMFWHEXBLFCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-methylpyridine
CAS: 22282-99-1
CID: 2762835
Formula: C6H6BrN
MW: 172.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight172.02
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass170.96836
Monoisotopic Mass170.96836
Topological Polar Surface Area12.9 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.9
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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