AG008HVR

845256-59-9 | Benzyl 3-fluoro-4-oxopiperidine-1-carboxylate

AG008HVR

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CAS Number	845256-59-9
Catalog Number	AG008HVR(AGN-PC-05VCFJ)
Chemical Name	Benzyl 3-fluoro-4-oxopiperidine-1-carboxylate
IUPAC Name	benzyl 3-fluoro-4-oxopiperidine-1-carboxylate
InChI	InChI=1S/C13H14FNO3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChI Key	JECCYYOJLNSUHX-UHFFFAOYSA-N
MDL Number	MFCD28016248
Molecular Formula	C13H14FNO3
Molecular Weight	251.2536
SMILES	C(=O)(OCc1ccccc1)N1CC(F)C(=O)CC1
Synonyms	benzyl 3-fluoro-4-oxopiperidine-1-carboxylate, 845256-59-9, 1-Cbz-3-fluoro-4-oxo-piperidine, 3-fluoro-4-oxopiperidine-1-carboxylic acid benzyl ester, Benzyl-3-fluoro-4-oxopiperidine-1-carboxylate, 1-PIPERIDINECARBOXYLIC ACID, 3-FLUORO-4-OXO-, PHENYLMETHYL ESTER, benzyl3-fluoro-4-oxopiperidine-1-carboxylate, SCHEMBL1966533, AMPD00010, CTK5F2554, DTXSID50654971, JECCYYOJLNSUHX-UHFFFAOYSA-N, ZX-RL003895, ANW-53351, BBL102197, MFCD11976639, STL555996, AKOS015919339, AM62620, CS-W001653, FCH2844121, PB26751, KS-0000044C, AK-93559, AS-33853, PC400706, SC-14328, AX8230943, TC-142096, 4CH-003989, ST24024653, X7983, Benzyl 3-fluoro-4-oxo-piperidine-1-carboxylate, Q-4960, A840830, phenylmethyl 3-fluoro-4-oxo-1-piperidinecarboxylate, S12-0011, BENZYL-3-FLUORO-4-OXOPIOERIDINE-1-CARBOXYLATE, (phenylmethyl) 3-fluoranyl-4-oxidanylidene-piperidine-1-carboxylate, 1-Piperidinecarboxylic Acid, 3-Fluoro-4-Oxo, Phenylmethyl Ester, 1-Piperidinecarboxylicacid, 3-fluoro-4-oxo-, phenylmethyl ester, 3-fluoro-4-oxo-1-piperidinecarboxylic acid (phenylmethyl) ester, 3-FLUORO-4-OXO-PIPERIDINE-1-CARBOXYLIC ACID BENZYL ESTER, C13H14FNO3,

Complexity	315
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.096g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.257g/mol
Monoisotopic Mass	251.096g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.6

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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