Home Nitriles 5-(Benzyloxy)-2-nitrobenzonitrile

5-(Benzyloxy)-2-nitrobenzonitrile

CAS No.:
38713-61-0
Catalog Number:
AG00CLT5
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$575
- +
Product Description
Catalog Number:
AG00CLT5
Chemical Name:
5-(Benzyloxy)-2-nitrobenzonitrile
CAS Number:
38713-61-0
Molecular Formula:
C14H10N2O3
Molecular Weight:
254.2408
MDL Number:
MFCD17015696
IUPAC Name:
2-nitro-5-phenylmethoxybenzonitrile
InChI:
InChI=1S/C14H10N2O3/c15-9-12-8-13(6-7-14(12)16(17)18)19-10-11-4-2-1-3-5-11/h1-8H,10H2
InChI Key:
YPJNGWDUMUYHTH-UHFFFAOYSA-N
SMILES:
N#Cc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]
Properties
Complexity:
351  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.069g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.245g/mol
Monoisotopic Mass:
254.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties