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1403483-65-7 | 4,5-Diiodo-1-(oxan-2-yl)pyrazole
CAS No: 1403483-65-7 Catalog No: AG009WQC MDL No:MFCD22549336
Product Description
Catalog Number:
AG009WQC
Chemical Name:
4,5-Diiodo-1-(oxan-2-yl)pyrazole
CAS Number:
1403483-65-7
Molecular Formula:
C8H10I2N2O
Molecular Weight:
403.9867
MDL Number:
MFCD22549336
IUPAC Name:
4,5-diiodo-1-(oxan-2-yl)pyrazole
InChI:
InChI=1S/C8H10I2N2O/c9-6-5-11-12(8(6)10)7-3-1-2-4-13-7/h5,7H,1-4H2
InChI Key:
DXTLRUXAWBXFDB-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1I)C1CCCCO1
Properties
Complexity:
182
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.888g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.99g/mol
Monoisotopic Mass:
403.888g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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