Home Nitriles 2-(Pyrimidin-4-yl)acetonitrile

2-(Pyrimidin-4-yl)acetonitrile

CAS No.:
794522-90-0
Catalog Number:
AG00G706
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
96%
In Stock USA
United States
$85
- +
250mg
96%
In Stock USA
United States
$125
- +
1g
96%
In Stock USA
United States
$363
- +
5g
96%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00G706
Chemical Name:
2-(Pyrimidin-4-yl)acetonitrile
CAS Number:
794522-90-0
Molecular Formula:
C6H5N3
Molecular Weight:
119.1240
MDL Number:
MFCD17015870
IUPAC Name:
2-pyrimidin-4-ylacetonitrile
InChI:
InChI=1S/C6H5N3/c7-3-1-6-2-4-8-5-9-6/h2,4-5H,1H2
InChI Key:
SHHGMESNVFQZIV-UHFFFAOYSA-N
SMILES:
N#CCc1ccncn1
Properties
Complexity:
124  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
119.048g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
119.127g/mol
Monoisotopic Mass:
119.048g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties