AG00IIF2

946504-83-2 | benzyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate

AG00IIF2

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CAS Number	946504-83-2
Catalog Number	AG00IIF2(AGN-PC-0WD8SD)
Chemical Name	benzyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
IUPAC Name	benzyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate
InChI	InChI=1S/C14H16F3NO3/c15-14(16,17)13(20)6-8-18(9-7-13)12(19)21-10-11-4-2-1-3-5-11/h1-5,20H,6-10H2
InChI Key	JTDWBYIBKZOBIP-UHFFFAOYSA-N
MDL Number	MFCD19686795
Molecular Formula	C14H16F3NO3
Molecular Weight	303.2769
SMILES	O=C(N1CCC(C(F)(F)F)(O)CC1)OCC2=CC=CC=C2
Synonyms	benzyl 4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate, 946504-83-2, benzyl4-hydroxy-4-(trifluoromethyl)piperidine-1-carboxylate, SCHEMBL2285406, JTDWBYIBKZOBIP-UHFFFAOYSA-N, KS-000004GL, MFCD19686795, AKOS027338426, ZINC118544174, SB11671, AS-52651, CS-0049827, 4-hydroxy-4-trifluoromethyl-piperidine-1-carboxylic acid benzyl ester,

Complexity	359
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	303.108g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	303.281g/mol
Monoisotopic Mass	303.108g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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