Home Halogens 3-(3-bromo-5-nitrophenyl)-3-oxopropanenitrile

3-(3-bromo-5-nitrophenyl)-3-oxopropanenitrile

CAS No.:
1536756-55-4
Catalog Number:
AG01BUV4
Molecular Formula:
C9H5BrN2O3
Molecular Weight:
269.0516
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01BUV4
Chemical Name:
3-(3-bromo-5-nitrophenyl)-3-oxopropanenitrile
CAS Number:
1536756-55-4
Molecular Formula:
C9H5BrN2O3
Molecular Weight:
269.0516
MDL Number:
MFCD19233127
IUPAC Name:
3-(3-bromo-5-nitrophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H5BrN2O3/c10-7-3-6(9(13)1-2-11)4-8(5-7)12(14)15/h3-5H,1H2
InChI Key:
XNUNKZXVBPCPCL-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1cc(Br)cc(c1)[N+](=O)[O-]
Properties
Complexity:
317  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.948g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.054g/mol
Monoisotopic Mass:
267.948g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties