Home Nitriles 5-Bromovaleronitrile

5-Bromovaleronitrile

CAS No.:
5414-21-1
Catalog Number:
AG003MLB
Molecular Formula:
C5H8BrN
Molecular Weight:
162.0277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
>97.0%(GC)
1 week
United States
$110
- +
25g
>97.0%(GC)
1 week
United States
$252
- +
Product Description
Catalog Number:
AG003MLB
Chemical Name:
5-Bromovaleronitrile
CAS Number:
5414-21-1
Molecular Formula:
C5H8BrN
Molecular Weight:
162.0277
MDL Number:
MFCD00001976
IUPAC Name:
5-bromopentanenitrile
InChI:
InChI=1S/C5H8BrN/c6-4-2-1-3-5-7/h1-4H2
InChI Key:
NWWWGAKVHCSAEU-UHFFFAOYSA-N
SMILES:
BrCCCCC#N
EC Number:
226-505-8
NSC Number:
8032
Properties
Complexity:
71.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.984g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.03g/mol
Monoisotopic Mass:
160.984g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
3,3'-Di-n-propyl-1,1'-[p-phenyl-enebis(methyl-ene)]diimidazolium dibromide. Acta crystallographica. Section E, Structure reports online 20110801
Properties