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1311197-82-6

1311197-82-6 | 1H-Pyrazole, 5-iodo-1-(tetrahydro-2H-pyran-2-yl)-

CAS No: 1311197-82-6 Catalog No: AG000VK1 MDL No:MFCD19237232

Product Description

Catalog Number:
AG000VK1
Chemical Name:
1H-Pyrazole, 5-iodo-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
1311197-82-6
Molecular Formula:
C8H11IN2O
Molecular Weight:
278.0902
MDL Number:
MFCD19237232
IUPAC Name:
5-iodo-1-(oxan-2-yl)pyrazole
InChI:
InChI=1S/C8H11IN2O/c9-7-4-5-10-11(7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2
InChI Key:
FMLVAXQYSRRRBO-UHFFFAOYSA-N
SMILES:
Ic1ccnn1C1CCCCO1

Properties

Complexity:
156  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  

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