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749927-85-3 | ETHANONE, 1-(4-IODO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-
CAS No: 749927-85-3 Catalog No: AG005ROW MDL No:
Product Description
Catalog Number:
AG005ROW
Chemical Name:
ETHANONE, 1-(4-IODO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)-
CAS Number:
749927-85-3
Molecular Formula:
C7H9IN2O
Molecular Weight:
264.0636
IUPAC Name:
1-(4-iodo-3,5-dimethylpyrazol-1-yl)ethanone
InChI:
InChI=1S/C7H9IN2O/c1-4-7(8)5(2)10(9-4)6(3)11/h1-3H3
InChI Key:
CGFUBILWMLNFTH-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1I)C)C(=O)C
Properties
Complexity:
174
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.976g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.066g/mol
Monoisotopic Mass:
263.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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