Home Nitriles 5-Bromo-2-pyrimidineacetonitrile

5-Bromo-2-pyrimidineacetonitrile

CAS No.:
831203-15-7
Catalog Number:
AG004WD2
Molecular Formula:
C6H4BrN3
Molecular Weight:
198.0201
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
97%
1 week
United States
$178
- +
Product Description
Catalog Number:
AG004WD2
Chemical Name:
5-Bromo-2-pyrimidineacetonitrile
CAS Number:
831203-15-7
Molecular Formula:
C6H4BrN3
Molecular Weight:
198.0201
MDL Number:
MFCD11111850
IUPAC Name:
2-(5-bromopyrimidin-2-yl)acetonitrile
InChI:
InChI=1S/C6H4BrN3/c7-5-3-9-6(1-2-8)10-4-5/h3-4H,1H2
InChI Key:
XLGDBMBECTZVKI-UHFFFAOYSA-N
SMILES:
N#CCc1ncc(cn1)Br
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.959g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.023g/mol
Monoisotopic Mass:
196.959g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties