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1217862-56-0 | 1-ethyl-4-iodo-5-methyl-1H-pyrazole
CAS No: 1217862-56-0 Catalog No: AG00HGFQ MDL No:MFCD15146434
Product Description
Catalog Number:
AG00HGFQ
Chemical Name:
1-ethyl-4-iodo-5-methyl-1H-pyrazole
CAS Number:
1217862-56-0
Molecular Formula:
C6H9IN2
Molecular Weight:
236.0535
MDL Number:
MFCD15146434
IUPAC Name:
1-ethyl-4-iodo-5-methylpyrazole
InChI:
InChI=1S/C6H9IN2/c1-3-9-5(2)6(7)4-8-9/h4H,3H2,1-2H3
InChI Key:
RCIFRPWRVZPFLI-UHFFFAOYSA-N
SMILES:
Cc1c(I)cnn1CC
Properties
Complexity:
97.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.981g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.056g/mol
Monoisotopic Mass:
235.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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