Home Sulfos 4-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile

4-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile

CAS No.:
1041561-96-9
Catalog Number:
AG00HAAP
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$188
- +
5g
98%
In Stock USA
United States
$563
- +
Product Description
Catalog Number:
AG00HAAP
Chemical Name:
4-[(Pyrrolidine-1-sulfonyl)methyl]benzonitrile
CAS Number:
1041561-96-9
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
MDL Number:
MFCD11120636
IUPAC Name:
4-(pyrrolidin-1-ylsulfonylmethyl)benzonitrile
InChI:
InChI=1S/C12H14N2O2S/c13-9-11-3-5-12(6-4-11)10-17(15,16)14-7-1-2-8-14/h3-6H,1-2,7-8,10H2
InChI Key:
JWHAMFBBZFBYKU-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)CS(=O)(=O)N1CCCC1
Properties
Complexity:
390  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties