AG003Q62

847986-13-4 | Ethyl 3-(Boc-amino)-2,2-difluoropropanoate

AG003Q62

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CAS Number	847986-13-4
Catalog Number	AG003Q62(AGN-PC-0UU06M)
Chemical Name	Ethyl 3-(Boc-amino)-2,2-difluoropropanoate
IUPAC Name	ethyl 2,2-difluoro-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
InChI	InChI=1S/C10H17F2NO4/c1-5-16-7(14)10(11,12)6-13-8(15)17-9(2,3)4/h5-6H2,1-4H3,(H,13,15)
InChI Key	LYQQVOPAOGCYKT-UHFFFAOYSA-N
MDL Number	MFCD28014563
Molecular Formula	C10H17F2NO4
Molecular Weight	253.2431
SMILES	O=C(OCC)C(F)(F)CNC(OC(C)(C)C)=O
Synonyms	Ethyl 3-(Boc-amino)-2,2-difluoropropanoate, 847986-13-4, ethyl 3-((tert-butoxycarbonyl)amino)-2,2-difluoropropanoate, SCHEMBL17141202, KS-00000AMW, 6722AJ, MFCD28014563, ZINC98213356, AKOS025243827, CS-W001655, FCH2899815, TRA0061942, CS-11745, SY029246, AB0072680, Ethyl3-(Boc-amino)-2,2-difluoropropanoate, FT-0734899, MFCD28014563 (95+%), C10H17F2NO4,

Complexity	287
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
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	7
Topological Polar Surface Area	64.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.9

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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