Home Nitriles 3-Formyl-4-nitrobenzonitrile

3-Formyl-4-nitrobenzonitrile

CAS No.:
90178-82-8
Catalog Number:
AG00GX6K
Molecular Formula:
C8H4N2O3
Molecular Weight:
176.1290
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$125
- +
1g
96%
In Stock USA
United States
$350
- +
5g
96%
In Stock USA
United States
$1150
- +
Product Description
Catalog Number:
AG00GX6K
Chemical Name:
3-Formyl-4-nitrobenzonitrile
CAS Number:
90178-82-8
Molecular Formula:
C8H4N2O3
Molecular Weight:
176.1290
MDL Number:
MFCD10696868
IUPAC Name:
3-formyl-4-nitrobenzonitrile
InChI:
InChI=1S/C8H4N2O3/c9-4-6-1-2-8(10(12)13)7(3-6)5-11/h1-3,5H
InChI Key:
KVFQELNRGJIUKT-UHFFFAOYSA-N
SMILES:
O=Cc1cc(C#N)ccc1[N+](=O)[O-]
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.022g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
176.131g/mol
Monoisotopic Mass:
176.022g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties