Home Nitriles 4-Formyl-3-nitrobenzonitrile

4-Formyl-3-nitrobenzonitrile

CAS No.:
90178-78-2
Catalog Number:
AG00H5VG
Molecular Formula:
C8H4N2O3
Molecular Weight:
176.1290
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95+%
In Stock USA
United States
$205
- +
250mg
95+%
In Stock USA
United States
$275
- +
1g
95%
In Stock USA
United States
$299
- +
Product Description
Catalog Number:
AG00H5VG
Chemical Name:
4-Formyl-3-nitrobenzonitrile
CAS Number:
90178-78-2
Molecular Formula:
C8H4N2O3
Molecular Weight:
176.1290
MDL Number:
MFCD10696869
IUPAC Name:
4-formyl-3-nitrobenzonitrile
InChI:
InChI=1S/C8H4N2O3/c9-4-6-1-2-7(5-11)8(3-6)10(12)13/h1-3,5H
InChI Key:
KNKVNTDAQHBEAW-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1[N+](=O)[O-])C#N
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  
Properties