Home Nitriles 3-Bromopropionitrile

3-Bromopropionitrile

CAS No.:
2417-90-5
Catalog Number:
AG003J54
Molecular Formula:
C3H4BrN
Molecular Weight:
133.9746
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$48
- +
5g
97%
In Stock USA
United States
$122
- +
Product Description
Catalog Number:
AG003J54
Chemical Name:
3-Bromopropionitrile
CAS Number:
2417-90-5
Molecular Formula:
C3H4BrN
Molecular Weight:
133.9746
MDL Number:
MFCD00001951
IUPAC Name:
3-bromopropanenitrile
InChI:
InChI=1S/C3H4BrN/c4-2-1-3-5/h1-2H2
InChI Key:
CQZIEDXCLQOOEH-UHFFFAOYSA-N
SMILES:
BrCCC#N
EC Number:
219-332-4
NSC Number:
8021
Properties
Complexity:
51.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.953g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.976g/mol
Monoisotopic Mass:
132.953g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
3-(2-Thioxo-1,3-dithiol-4-ylsulfan-yl)-propane-nitrile. Acta crystallographica. Section E, Structure reports online 20081101
Properties