Home Nitriles 2-[3-(Pyrrolidinocarbonyl)phenyl]benzonitrile

2-[3-(Pyrrolidinocarbonyl)phenyl]benzonitrile

CAS No.:
1365272-34-9
Catalog Number:
AG00120H
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG00120H
Chemical Name:
2-[3-(Pyrrolidinocarbonyl)phenyl]benzonitrile
CAS Number:
1365272-34-9
Molecular Formula:
C18H16N2O
Molecular Weight:
276.3324
MDL Number:
MFCD21609620
IUPAC Name:
2-[3-(pyrrolidine-1-carbonyl)phenyl]benzonitrile
InChI:
InChI=1S/C18H16N2O/c19-13-16-6-1-2-9-17(16)14-7-5-8-15(12-14)18(21)20-10-3-4-11-20/h1-2,5-9,12H,3-4,10-11H2
InChI Key:
QWIJCHCIPGVNMX-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1cccc(c1)C(=O)N1CCCC1
Properties
Complexity:
418  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.126g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.339g/mol
Monoisotopic Mass:
276.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties