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1354704-06-5 | 4-IODO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBONITRILE
CAS No: 1354704-06-5 Catalog No: AG01AON1 MDL No:MFCD24539524
Product Description
Catalog Number:
AG01AON1
Chemical Name:
4-IODO-1,3-DIMETHYL-1H-PYRAZOLE-5-CARBONITRILE
CAS Number:
1354704-06-5
Molecular Formula:
C6H6IN3
Molecular Weight:
247.0364
MDL Number:
MFCD24539524
IUPAC Name:
4-iodo-2,5-dimethylpyrazole-3-carbonitrile
InChI:
InChI=1S/C6H6IN3/c1-4-6(7)5(3-8)10(2)9-4/h1-2H3
InChI Key:
MWUGRLBPFJTATK-UHFFFAOYSA-N
SMILES:
N#Cc1n(C)nc(c1I)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.961g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.039g/mol
Monoisotopic Mass:
246.961g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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