Home Nitriles 3-(2-Bromoethoxy)benzonitrile

3-(2-Bromoethoxy)benzonitrile

CAS No.:
210963-61-4
Catalog Number:
AG00BNUW
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$37
- +
250mg
95%
In Stock USA
United States
$70
- +
1g
95%
In Stock USA
United States
$139
- +
Product Description
Catalog Number:
AG00BNUW
Chemical Name:
3-(2-Bromoethoxy)benzonitrile
CAS Number:
210963-61-4
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD09803017
IUPAC Name:
3-(2-bromoethoxy)benzonitrile
InChI:
InChI=1S/C9H8BrNO/c10-4-5-12-9-3-1-2-8(6-9)7-11/h1-3,6H,4-5H2
InChI Key:
OQAYBNVLPKSUPI-UHFFFAOYSA-N
SMILES:
BrCCOc1cccc(c1)C#N
Properties
Complexity:
175  
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:
2.4  
Properties