Home Nitriles 3-(Pyrrolidinocarbonyl)benzonitrile

3-(Pyrrolidinocarbonyl)benzonitrile

CAS No.:
882855-89-2
Catalog Number:
AG00IF17
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$250
- +
5g
95%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG00IF17
Chemical Name:
3-(Pyrrolidinocarbonyl)benzonitrile
CAS Number:
882855-89-2
Molecular Formula:
C12H12N2O
Molecular Weight:
200.2365
MDL Number:
MFCD07186281
IUPAC Name:
3-(pyrrolidine-1-carbonyl)benzonitrile
InChI:
InChI=1S/C12H12N2O/c13-9-10-4-3-5-11(8-10)12(15)14-6-1-2-7-14/h3-5,8H,1-2,6-7H2
InChI Key:
OQALHOPGBNLNSS-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)N1CCCC1
Properties
Complexity:
285  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.095g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.241g/mol
Monoisotopic Mass:
200.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties