Home Halogens 1-Benzyl-3-chloropyrrolidine-3-carbonitrile

1-Benzyl-3-chloropyrrolidine-3-carbonitrile

CAS No.:
1864016-04-5
Catalog Number:
AG00I1RV
Molecular Formula:
C12H13ClN2
Molecular Weight:
220.6980
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$200
- +
5g
96%
In Stock USA
United States
$600
- +
10g
96%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG00I1RV
Chemical Name:
1-Benzyl-3-chloropyrrolidine-3-carbonitrile
CAS Number:
1864016-04-5
Molecular Formula:
C12H13ClN2
Molecular Weight:
220.6980
MDL Number:
MFCD29035393
IUPAC Name:
1-benzyl-3-chloropyrrolidine-3-carbonitrile
InChI:
InChI=1S/C12H13ClN2/c13-12(9-14)6-7-15(10-12)8-11-4-2-1-3-5-11/h1-5H,6-8,10H2
InChI Key:
AWMXSHLAWFWXIA-UHFFFAOYSA-N
SMILES:
N#CC1(Cl)CCN(C1)Cc1ccccc1
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.077g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.7g/mol
Monoisotopic Mass:
220.077g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties