Home Nitriles Benzonitrile, 3-(2-oxiranyl)-

Benzonitrile, 3-(2-oxiranyl)-

CAS No.:
13906-62-2
Catalog Number:
AG001A3P
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$152
- +
Product Description
Catalog Number:
AG001A3P
Chemical Name:
Benzonitrile, 3-(2-oxiranyl)-
CAS Number:
13906-62-2
Molecular Formula:
C9H7NO
Molecular Weight:
145.1580
MDL Number:
MFCD19597734
IUPAC Name:
3-(oxiran-2-yl)benzonitrile
InChI:
InChI=1S/C9H7NO/c10-5-7-2-1-3-8(4-7)9-6-11-9/h1-4,9H,6H2
InChI Key:
CIERCXRPGAPJGE-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)C1OC1
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.053g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
145.161g/mol
Monoisotopic Mass:
145.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties