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5-Bromopyrimidine

CAS No.:
4595-59-9
Catalog Number:
AG00348J
Molecular Formula:
C4H3BrN2
Molecular Weight:
158.9840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$88
- +
100g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG00348J
Chemical Name:
5-Bromopyrimidine
CAS Number:
4595-59-9
Molecular Formula:
C4H3BrN2
Molecular Weight:
158.9840
MDL Number:
MFCD00006117
IUPAC Name:
5-bromopyrimidine
InChI:
InChI=1S/C4H3BrN2/c5-4-1-6-3-7-2-4/h1-3H
InChI Key:
GYCPLYCTMDTEPU-UHFFFAOYSA-N
SMILES:
Brc1cncnc1
EC Number:
224-992-1
Properties
Complexity:
51.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
157.948g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
158.986g/mol
Monoisotopic Mass:
157.948g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
trans-Bromido(pyrimidinyl-κC)bis-(triphenyl-phosphane-κP)palladium(II). Acta crystallographica. Section E, Structure reports online 20111201
The Auger spectroscopy of pyrimidine and halogen-substituted pyrimidines. The Journal of chemical physics 20081021
Novel C-6 fluorinated acyclic side chain pyrimidine derivatives: synthesis, (1)H and (13)C NMR conformational studies, and antiviral and cytostatic evaluations. Journal of medicinal chemistry 20070628
Ethynyl pi-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties. Organic & biomolecular chemistry 20041121
5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions. Organic & biomolecular chemistry 20040321
Properties