AG001B57

139503-12-1 | 4-(3,5-Difluorophenyl)-tetrahydro-2h-pyran-4-ol

AG001B57

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CAS Number	139503-12-1
Catalog Number	AG001B57(AGN-PC-02CHJY)
Chemical Name	4-(3,5-Difluorophenyl)-tetrahydro-2h-pyran-4-ol
IUPAC Name	4-(3,5-difluorophenyl)oxan-4-ol
InChI	InChI=1S/C11H12F2O2/c12-9-5-8(6-10(13)7-9)11(14)1-3-15-4-2-11/h5-7,14H,1-4H2
InChI Key	IAOXCRBWNOMXEF-UHFFFAOYSA-N
MDL Number	MFCD11849468
Molecular Formula	C11H12F2O2
Molecular Weight	214.2086
SMILES	OC1(C2=CC(F)=CC(F)=C2)CCOCC1
Synonyms	4-(3,5-difluorophenyl)tetrahydro-2H-pyran-4-ol, 139503-12-1, 4-(3,5-DIFLUOROPHENYL)-TETRAHYDRO-2H-PYRAN-4-OL, AK200215, SCHEMBL7479848, DTXSID30598602, IAOXCRBWNOMXEF-UHFFFAOYSA-N, 4-(3,5-Difluorophenyl)oxan-4-ol, KS-00000TE1, MFCD11849468, ZINC63076801, AKOS012522785, CS-W000617, 2H-Pyran-4-ol, 4-(3,5-difluorophenyl)tetrahydro-, A1-10996,

Complexity	207
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	214.081g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	214.212g/mol
Monoisotopic Mass	214.081g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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