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938066-17-2 | 4-Iodo-1-tetrahydropyran-2-yl-pyrazole
CAS No: 938066-17-2 Catalog No: AG00IHUZ MDL No:MFCD19689194
Product Description
Catalog Number:
AG00IHUZ
Chemical Name:
4-Iodo-1-tetrahydropyran-2-yl-pyrazole
CAS Number:
938066-17-2
Molecular Formula:
C8H11IN2O
Molecular Weight:
278.0902
MDL Number:
MFCD19689194
IUPAC Name:
4-iodo-1-(oxan-2-yl)pyrazole
InChI:
InChI=1S/C8H11IN2O/c9-7-5-10-11(6-7)8-3-1-2-4-12-8/h5-6,8H,1-4H2
InChI Key:
XOMUJCQTYLHICW-UHFFFAOYSA-N
SMILES:
Ic1cnn(c1)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:
1.6
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