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1540221-68-8 | 3-iodo-1-(oxan-4-yl)-1H-pyrazole
CAS No: 1540221-68-8 Catalog No: AG01EL52 MDL No:MFCD23768959
Product Description
Catalog Number:
AG01EL52
Chemical Name:
3-iodo-1-(oxan-4-yl)-1H-pyrazole
CAS Number:
1540221-68-8
Molecular Formula:
C8H11IN2O
Molecular Weight:
278.0902
MDL Number:
MFCD23768959
IUPAC Name:
3-iodo-1-(oxan-4-yl)pyrazole
InChI:
InChI=1S/C8H11IN2O/c9-8-1-4-11(10-8)7-2-5-12-6-3-7/h1,4,7H,2-3,5-6H2
InChI Key:
JPZBWUVYDFTMCM-UHFFFAOYSA-N
SMILES:
Ic1ccn(n1)C1CCOCC1
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.992g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.093g/mol
Monoisotopic Mass:
277.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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