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1305323-24-3 | 3-Iodo-1-(oxan-2-yl)pyrazole
CAS No: 1305323-24-3 Catalog No: AG009X88 MDL No:MFCD22549337
Product Description
Catalog Number:
AG009X88
Chemical Name:
3-Iodo-1-(oxan-2-yl)pyrazole
CAS Number:
1305323-24-3
Molecular Formula:
C8H11IN2O
Molecular Weight:
278.0902
MDL Number:
MFCD22549337
IUPAC Name:
3-iodo-1-(oxan-2-yl)pyrazole
InChI:
InChI=1S/C8H11IN2O/c9-7-4-5-11(10-7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2
InChI Key:
XHBYURSURJVCBA-UHFFFAOYSA-N
SMILES:
Ic1ccn(n1)C1CCCCO1
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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