AG009HML

1400264-85-8 | tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate

AG009HML

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CAS Number	1400264-85-8
Catalog Number	AG009HML(AGN-PC-0WBRJR)
Chemical Name	tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate
IUPAC Name	tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;hydrate
InChI	InChI=1S/C10H15F2NO3.H2O/c1-9(2,3)16-8(15)13-5-4-7(14)10(11,12)6-13;/h4-6H2,1-3H3;1H2
InChI Key	IEESRSKOIOREKD-UHFFFAOYSA-N
MDL Number	MFCD16140378
Molecular Formula	C10H17F2NO4
Molecular Weight	253.2431
SMILES	O=C(N1CC(F)(F)C(CC1)=O)OC(C)(C)C.[H]O[H]
Synonyms	tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate, 1400264-85-8, W-205120, MFCD19443979, AKOS025211889, SB20368, KS-0000078J, AK172363, AS-51421, AX8273730, 1-Boc-3,3-Difluoro-4-oxopiperidine Hydrate, CS-0048351, Y7254, tert-butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate;hydrate, tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate, 95%, tert-Butyl 3,3-difluoro-4-oxopiperidine-1-carboxylate hydrate, AldrichCPR, 5'-Tosyladenosine, C10H17F2NO4, 1215071-17-2, 5135-30-8,

Complexity	310
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	253.113g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	253.246g/mol
Monoisotopic Mass	253.113g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	47.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

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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