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2-Bromo-4-picoline-d3

CAT: 0572-TRC-B685577-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B685577-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1185311-65-2
Hazard Statement
No Data Available
Smiles
[2H]C([2H])([2H])c1ccnc(Br)c1
Molecular Formula
C6 D3 H3 Br N
Molecular Weight
175.041
InChI
InChI=1S/C6H6BrN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3/i1D3
Additionnal Information
IUPAC name: 2-bromo-4-(trideuteriomethyl)pyridine
Shipping Conditions
Room Temperature

Chemical Information

2-Bromo-4-(methyl-d3)-pyridine
CAS Number1185311-65-2
PubChem CID45787513
IUPAC Name2-bromo-4-(trideuteriomethyl)pyridine
Molecular FormulaC6H6BrN
Molecular Weight175.04
XLogP1.9
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=CC(=NC=C1)Br
InChI
InChI=1S/C6H6BrN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3/i1D3
InChIKey
LSZMVESSGLHDJE-FIBGUPNXSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-4-(methyl-d3)-pyridine
CAS: 1185311-65-2
CID: 45787513
Formula: C6H6BrN
MW: 175.04
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight175.04
XLogP31.9
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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