Home Nitriles 5-Bromo-2-(pyrrolidino)benzonitrile

5-Bromo-2-(pyrrolidino)benzonitrile

CAS No.:
876918-66-0
Catalog Number:
AG004NS7
Molecular Formula:
C11H11BrN2
Molecular Weight:
251.1224
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$163
- +
5g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG004NS7
Chemical Name:
5-Bromo-2-(pyrrolidino)benzonitrile
CAS Number:
876918-66-0
Molecular Formula:
C11H11BrN2
Molecular Weight:
251.1224
MDL Number:
MFCD11039042
IUPAC Name:
5-bromo-2-pyrrolidin-1-ylbenzonitrile
InChI:
InChI=1S/C11H11BrN2/c12-10-3-4-11(9(7-10)8-13)14-5-1-2-6-14/h3-4,7H,1-2,5-6H2
InChI Key:
UJHOFSPIVIOCGB-UHFFFAOYSA-N
SMILES:
N#Cc1cc(Br)ccc1N1CCCC1
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.011g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.127g/mol
Monoisotopic Mass:
250.011g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties