Home Nitriles 3-(4-Chlorophenoxy)propanenitrile

3-(4-Chlorophenoxy)propanenitrile

CAS No.:
46125-42-2
Catalog Number:
AG003I3Y
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$25
- +
5g
97%
In Stock USA
United States
$63
- +
Product Description
Catalog Number:
AG003I3Y
Chemical Name:
3-(4-Chlorophenoxy)propanenitrile
CAS Number:
46125-42-2
Molecular Formula:
C9H8ClNO
Molecular Weight:
181.6189
MDL Number:
MFCD01569392
IUPAC Name:
3-(4-chlorophenoxy)propanenitrile
InChI:
InChI=1S/C9H8ClNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2
InChI Key:
BGEZBXFEROYDPF-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(cc1)Cl
NSC Number:
79334
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.619g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties