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51660-65-2 | 4-IODO-1,3,5-TRIMETHYL-1H-PYRAZOLE
CAS No: 51660-65-2 Catalog No: AG00DCNE MDL No:MFCD00626320
Product Description
Catalog Number:
AG00DCNE
Chemical Name:
4-IODO-1,3,5-TRIMETHYL-1H-PYRAZOLE
CAS Number:
51660-65-2
Molecular Formula:
C6H9IN2
Molecular Weight:
236.0535
MDL Number:
MFCD00626320
IUPAC Name:
4-iodo-1,3,5-trimethylpyrazole
InChI:
InChI=1S/C6H9IN2/c1-4-6(7)5(2)9(3)8-4/h1-3H3
InChI Key:
RUOGLHMRBURIEQ-UHFFFAOYSA-N
SMILES:
Cc1nn(c(c1I)C)C
Properties
Complexity:
107
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:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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