Home Aldehydes 3-Cyano-2-nitrobenzaldehyde

3-Cyano-2-nitrobenzaldehyde

CAS No.:
114344-00-2
Catalog Number:
AG000B5A
Molecular Formula:
C8H4N2O3
Molecular Weight:
176.1290
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$237
- +
1g
95%
1 week
United States
$534
- +
Product Description
Catalog Number:
AG000B5A
Chemical Name:
3-Cyano-2-nitrobenzaldehyde
CAS Number:
114344-00-2
Molecular Formula:
C8H4N2O3
Molecular Weight:
176.1290
MDL Number:
MFCD28053779
IUPAC Name:
3-formyl-2-nitrobenzonitrile
InChI:
InChI=1S/C8H4N2O3/c9-4-6-2-1-3-7(5-11)8(6)10(12)13/h1-3,5H
InChI Key:
HUGYRUWVKNAJOH-UHFFFAOYSA-N
SMILES:
O=Cc1cccc(c1[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:
0.9  
Properties