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5-Bromopyrimidine-2-carbaldehyde

CAT: 1266-JH589577Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH589577Size:1 Each
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CAS Number
944902-05-0
UN Code
UN 1170
Hazard Statement
Xi
Stability
Store in Freezer at -20oC
Molecular Formula
C5H3BrN2O
Molecular Weight
186.99
Product Name Synonym
5-BROMOPYRIMIDINE-2-CARBOXALDEHYDE
Physical Properties
Solid.
Hazardous Class
9
Safety Statements
S24/25
Density
1.39 g/cm3
Flash Point
142.209oC
RIDADR
UN 1170 3
Melting Point
142oC

Chemical Information

5-Bromopyrimidine-2-carbaldehyde
CAS Number944902-05-0
PubChem CID55264023
IUPAC Name5-bromopyrimidine-2-carbaldehyde
Molecular FormulaC5H3BrN2O
Molecular Weight186.99
XLogP0.7
Topological Polar Surface Area42.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity101
SMILES
C1=C(C=NC(=N1)C=O)Br
InChI
InChI=1S/C5H3BrN2O/c6-4-1-7-5(3-9)8-2-4/h1-3H
InChIKey
DCUNSYBCDXVLGH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromopyrimidine-2-carbaldehyde
CAS: 944902-05-0
CID: 55264023
Formula: C5H3BrN2O
MW: 186.99
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight186.99
XLogP30.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass185.94288
Monoisotopic Mass185.94288
Topological Polar Surface Area42.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity101
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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