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2-Bromo-5-picoline-d3

CAT: 0572-TRC-B685572-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B685572-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185306-03-9
Synonyms
2-Bromo-5-(methyl-d3)pyridine; 6-Bromo-3-picoline-d3; 5-(Methyl-d3)-2-bromopyridine;
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])c1ccc(Br)nc1
Molecular Formula
C6H3D3BrN
Molecular Weight
175.04
Shipping Conditions
Room Temperature

Chemical Information

2-Bromo-5-picoline-d3
CAS Number1185306-03-9
PubChem CID45038455
IUPAC Name2-bromo-5-(trideuteriomethyl)pyridine
Molecular FormulaC6H6BrN
Molecular Weight175.04
XLogP2.4
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
[2H]C([2H])([2H])C1=CN=C(C=C1)Br
InChI
InChI=1S/C6H6BrN/c1-5-2-3-6(7)8-4-5/h2-4H,1H3/i1D3
InChIKey
YWNJQQNBJQUKME-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-5-picoline-d3
CAS: 1185306-03-9
CID: 45038455
Formula: C6H6BrN
MW: 175.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.04
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass173.98719
Monoisotopic Mass173.98719
Topological Polar Surface Area12.9 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.9
Isotope Atom Count3
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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