Home Nitriles 5-Nitro-1h-pyrrole-2-carbonitrile

5-Nitro-1h-pyrrole-2-carbonitrile

CAS No.:
67903-53-1
Catalog Number:
AG0062JA
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
≥ 95% (HPLC)
1 week
United States
$126
- +
250mg
≥ 95% (HPLC)
1 week
United States
$221
- +
1g
≥ 95% (HPLC)
1 week
United States
$403
- +
Product Description
Catalog Number:
AG0062JA
Chemical Name:
5-Nitro-1h-pyrrole-2-carbonitrile
CAS Number:
67903-53-1
Molecular Formula:
C5H3N3O2
Molecular Weight:
137.0962
MDL Number:
MFCD12400724
IUPAC Name:
5-nitro-1H-pyrrole-2-carbonitrile
InChI:
InChI=1S/C5H3N3O2/c6-3-4-1-2-5(7-4)8(9)10/h1-2,7H
InChI Key:
ZVVCRSWBCOBPKF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc([nH]1)[N+](=O)[O-]
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
137.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
137.098g/mol
Monoisotopic Mass:
137.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
85.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties