AG00IHUZ

938066-17-2 | 4-Iodo-1-tetrahydropyran-2-yl-pyrazole

AG00IHUZ

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CAS Number	938066-17-2
Catalog Number	AG00IHUZ(AGN-PC-0WALX2)
Chemical Name	4-Iodo-1-tetrahydropyran-2-yl-pyrazole
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
MDL Number	MFCD19689194
Molecular Formula	C8H11IN2O
Molecular Weight	278.0902
SMILES	IC1=CN(C2CCCCO2)N=C1
Synonyms	938066-17-2, 4-iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole, 4-Iodo-1-(tetrahydropyran-2-yl)-1H-pyrazole, 4-Iodo-1-tetrahydropyran-2-yl-pyrazole, 4-iodo-1-(oxan-2-yl)-1H-pyrazole, SCHEMBL12552172, 4-iodo-1-(oxan-2-yl)pyrazole, XOMUJCQTYLHICW-UHFFFAOYSA-N, KS-000002BP, 3745AF, BBL103197, MFCD19689194, STL557007, AKOS022176837, AK-42616, DA-00690, DS-14087, FT-0734312, ST24043801, Y-8099, 1-(Tetrahydro-2H-pyran-2-yl)-4-iodo-1H-pyrazole, 4-iodo-1-(tetrahydro-2-H-pyran-2-yl)-1-H-pyrazole, 4-Iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole, AldrichCPR, C8H11IN2O, 1H-Pyrazole, 4-iodo-1-(tetrahydro-2H-pyran-2-yl)-, 4-Iodo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole, 95% - 1G 1g,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
Signal Words	warning
UN Code

Certificate of Analysis

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