Home Halogens 3-Pyridinepropanenitrile,5-bromo-b-oxo-

3-Pyridinepropanenitrile,5-bromo-b-oxo-

CAS No.:
887594-04-9
Catalog Number:
AG004B9W
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
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Product Description
Catalog Number:
AG004B9W
Chemical Name:
3-Pyridinepropanenitrile,5-bromo-b-oxo-
CAS Number:
887594-04-9
Molecular Formula:
C8H5BrN2O
Molecular Weight:
225.0421
MDL Number:
MFCD06656812
IUPAC Name:
3-(5-bromopyridin-3-yl)-3-oxopropanenitrile
InChI:
InChI=1S/C8H5BrN2O/c9-7-3-6(4-11-5-7)8(12)1-2-10/h3-5H,1H2
InChI Key:
MIXBXJZVCUVVCI-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cncc(c1)Br
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.959g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.045g/mol
Monoisotopic Mass:
223.959g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties