Home Nitriles 3-Iodo-1h-pyrazole-4-carbonitrile

3-Iodo-1h-pyrazole-4-carbonitrile

CAS No.:
827316-44-9
Catalog Number:
AG00501W
Molecular Formula:
C4H2IN3
Molecular Weight:
218.9832
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$307
- +
5g
97%
1 week
United States
$846
- +
10g
97%
1 week
United States
$1371
- +
Product Description
Catalog Number:
AG00501W
Chemical Name:
3-Iodo-1h-pyrazole-4-carbonitrile
CAS Number:
827316-44-9
Molecular Formula:
C4H2IN3
Molecular Weight:
218.9832
MDL Number:
MFCD22393462
IUPAC Name:
5-iodo-1H-pyrazole-4-carbonitrile
InChI:
InChI=1S/C4H2IN3/c5-4-3(1-6)2-7-8-4/h2H,(H,7,8)
InChI Key:
JEISIEQLHQZCOF-UHFFFAOYSA-N
SMILES:
Ic1n[nH]cc1C#N
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.929g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.985g/mol
Monoisotopic Mass:
218.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties