AG00971O

1048994-21-3 | Methyl 1-Boc-4-fluoropiperidine-4-carboxylate

AG00971O

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CAS Number	1048994-21-3
Catalog Number	AG00971O(AGN-PC-0WBRL4)
Chemical Name	Methyl 1-Boc-4-fluoropiperidine-4-carboxylate
IUPAC Name	1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
InChI	InChI=1S/C12H20FNO4/c1-11(2,3)18-10(16)14-7-5-12(13,6-8-14)9(15)17-4/h5-8H2,1-4H3
InChI Key	PZANFNHFJJIDEY-UHFFFAOYSA-N
MDL Number	MFCD18074440
Molecular Formula	C12H20FNO4
Molecular Weight	261.2899
SMILES	C(=O)(OC)C1(F)CCN(CC1)C(=O)OC(C)(C)C
Synonyms	1048994-21-3, 1-tert-butyl 4-methyl 4-fluoropiperidine-1,4-dicarboxylate, METHYL 1-BOC-4-FLUOROPIPERIDINE-4-CARBOXYLATE, SCHEMBL2661172, PZANFNHFJJIDEY-UHFFFAOYSA-N, KS-000006JB, MFCD18074440, ZINC95629968, AKOS025291150, PB24342, AK171505, AS-34275, CS-0052360, Q-1490, O1-tert-Butyl O4-methyl 4-fluoropiperidine-1,4-dicarboxylate, 1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate,

Complexity	330
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.138g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	261.293g/mol
Monoisotopic Mass	261.138g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number