Home Nitriles 3-(Morpholine-4-carbonyl)benzonitrile

3-(Morpholine-4-carbonyl)benzonitrile

CAS No.:
1017035-26-5
Catalog Number:
AG00H9JY
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$275
- +
5g
98%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG00H9JY
Chemical Name:
3-(Morpholine-4-carbonyl)benzonitrile
CAS Number:
1017035-26-5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD09942561
IUPAC Name:
3-(morpholine-4-carbonyl)benzonitrile
InChI:
InChI=1S/C12H12N2O2/c13-9-10-2-1-3-11(8-10)12(15)14-4-6-16-7-5-14/h1-3,8H,4-7H2
InChI Key:
SWBITPIXEVAFSR-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C(=O)N1CCOCC1
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties