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1516303-92-6 | 5-iodo-1-methyl-1H-pyrazole-4-carbonitrile
CAS No: 1516303-92-6 Catalog No: AG01ALF7 MDL No:MFCD26679083
Product Description
Catalog Number:
AG01ALF7
Chemical Name:
5-iodo-1-methyl-1H-pyrazole-4-carbonitrile
CAS Number:
1516303-92-6
Molecular Formula:
C5H4IN3
Molecular Weight:
233.0098
MDL Number:
MFCD26679083
IUPAC Name:
5-iodo-1-methylpyrazole-4-carbonitrile
InChI:
InChI=1S/C5H4IN3/c1-9-5(6)4(2-7)3-8-9/h3H,1H3
InChI Key:
ZYZMMVPDXOHBOY-UHFFFAOYSA-N
SMILES:
N#Cc1cnn(c1I)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:
0.6
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