Home Nitriles 1H-Imidazole-2-carbonitrile

1H-Imidazole-2-carbonitrile

CAS No.:
31722-49-3
Catalog Number:
AG00382T
Molecular Formula:
C4H3N3
Molecular Weight:
93.0867
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$100
- +
1g
96%
In Stock USA
United States
$250
- +
5g
96%
In Stock USA
United States
$750
- +
10g
96%
In Stock USA
United States
$1313
- +
Product Description
Catalog Number:
AG00382T
Chemical Name:
1H-Imidazole-2-carbonitrile
CAS Number:
31722-49-3
Molecular Formula:
C4H3N3
Molecular Weight:
93.0867
MDL Number:
MFCD08668415
IUPAC Name:
1H-imidazole-2-carbonitrile
InChI:
InChI=1S/C4H3N3/c5-3-4-6-1-2-7-4/h1-2H,(H,6,7)
InChI Key:
QMQZIXCNLUPEIN-UHFFFAOYSA-N
SMILES:
N#Cc1ncc[nH]1
Properties
Complexity:
101  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
93.033g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
93.089g/mol
Monoisotopic Mass:
93.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Literature
Title Journal
Comparison of cyanide and carbon monoxide as ligands in iron(II) porphyrinates. Angewandte Chemie (International ed. in English) 20090101
Properties