AG009LPS

1126650-66-5 | tert-Butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate

AG009LPS

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CAS Number	1126650-66-5
Catalog Number	AG009LPS(AGN-PC-0WBRNH)
Chemical Name	tert-Butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate
IUPAC Name	tert-butyl 3-fluoro-3-(hydroxymethyl)azetidine-1-carboxylate
InChI	InChI=1S/C9H16FNO3/c1-8(2,3)14-7(13)11-4-9(10,5-11)6-12/h12H,4-6H2,1-3H3
InChI Key	BONSKTIHNARTGJ-UHFFFAOYSA-N
MDL Number	MFCD17392630
Molecular Formula	C9H16FNO3
Molecular Weight	205.2266
SMILES	O=C(N1CC(CO)(F)C1)OC(C)(C)C
Synonyms	1126650-66-5, TERT-BUTYL 3-FLUORO-3-(HYDROXYMETHYL)AZETIDINE-1-CARBOXYLATE, 1-BOC-3-FLUOROAZETIDINE-3-METHANOL, SCHEMBL15319669, 1-Boc-3-fluoroazetidine-3..., DTXSID10649520, BONSKTIHNARTGJ-UHFFFAOYSA-N, KS-000006ZD, PS-J-086, MFCD17392630, ZINC59243882, AKOS007929939, FCH1359282, PB16725, AK172232, AS-34459, PC420021, ST1010012, CS-0036895, C-8887, 1-(tert-Butyloxycarbonyl)-3-fluoroazetidine-3-methanol, TERT-BUTYL-3-(HYDROXYMETHYL)-3-FLUORO-AZETIDINE-1-CARBOXYLATE, 1-AZETIDINECARBOXYLIC ACID, 3-FLUORO-3-(HYDROXYMETHYL)-, 1,1-DIMETHYLETHYL ESTER,

Complexity	231
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	205.111g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	205.229g/mol
Monoisotopic Mass	205.111g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.4

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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