Home Nitriles 3-(4-Bromophenoxy)propanenitrile

3-(4-Bromophenoxy)propanenitrile

CAS No.:
118449-57-3
Catalog Number:
AG003I33
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$60
- +
5g
98%
In Stock USA
United States
$188
- +
10g
98%
In Stock USA
United States
$313
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003I33
Chemical Name:
3-(4-Bromophenoxy)propanenitrile
CAS Number:
118449-57-3
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD00634314
IUPAC Name:
3-(4-bromophenoxy)propanenitrile
InChI:
InChI=1S/C9H8BrNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2
InChI Key:
JXVPKJBXTXXLPN-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(cc1)Br
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties