Home Nitriles 4-iodo-1-methyl-1H-pyrazole-3-carbonitrile

4-iodo-1-methyl-1H-pyrazole-3-carbonitrile

CAS No.:
1003988-53-1
Catalog Number:
AG01BIGK
Molecular Formula:
C5H4IN3
Molecular Weight:
233.0098
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Product Description
Catalog Number:
AG01BIGK
Chemical Name:
4-iodo-1-methyl-1H-pyrazole-3-carbonitrile
CAS Number:
1003988-53-1
Molecular Formula:
C5H4IN3
Molecular Weight:
233.0098
MDL Number:
MFCD00466854
IUPAC Name:
4-iodo-1-methylpyrazole-3-carbonitrile
InChI:
InChI=1S/C5H4IN3/c1-9-3-4(6)5(2-7)8-9/h3H,1H3
InChI Key:
UISLLIUBNRIIBI-UHFFFAOYSA-N
SMILES:
N#Cc1nn(cc1I)C
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.945g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.012g/mol
Monoisotopic Mass:
232.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties