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955965-81-8 | 2-(4-IODO-1H-PYRAZOL-1-YL)ACETONITRILE
CAS No: 955965-81-8 Catalog No: AG01DWX4 MDL No:MFCD06014071
Product Description
Catalog Number:
AG01DWX4
Chemical Name:
2-(4-IODO-1H-PYRAZOL-1-YL)ACETONITRILE
CAS Number:
955965-81-8
Molecular Formula:
C5H4IN3
Molecular Weight:
233.0098
MDL Number:
MFCD06014071
IUPAC Name:
2-(4-iodopyrazol-1-yl)acetonitrile
InChI:
InChI=1S/C5H4IN3/c6-5-3-8-9(4-5)2-1-7/h3-4H,2H2
InChI Key:
VWWQXOACJJDOCA-UHFFFAOYSA-N
SMILES:
Ic1cn(nc1)CC#N
Properties
Complexity:
138
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:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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