AG001536

1215071-16-1 | 1-Pyrrolidinecarboxylic acid, 3,3-difluoro-4-oxo-, 1,1-dimethylethyl ester

AG001536

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CAS Number	1215071-16-1
Catalog Number	AG001536(AGN-PC-07YNDS)
Chemical Name	1-Pyrrolidinecarboxylic acid, 3,3-difluoro-4-oxo-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3,3-difluoro-4-oxopyrrolidine-1-carboxylate
InChI	InChI=1S/C9H13F2NO3/c1-8(2,3)15-7(14)12-4-6(13)9(10,11)5-12/h4-5H2,1-3H3
InChI Key	PVBHORJISFZNBG-UHFFFAOYSA-N
MDL Number	MFCD16140377
Molecular Formula	C9H13F2NO3
Molecular Weight	221.2012
SMILES	CC(C)(C)OC(=O)N1CC(=O)C(F)(F)C1
Synonyms	tert-Butyl 3,3-Difluoro-4-oxopyrrolidine-1-carboxylate, 1215071-16-1, 1-Boc-3,3-difluoro-4-oxopyrrolidine, N-T-BOC-4,4-DIFLUORO-3-PYRROLIDINONE, W-205119, C9H13F2NO3, CTK8B6954, DTXSID90676677, 3911AA, ANW-55062, MFCD16140377, ZINC67173975, AKOS015841215, CS-W001337, FCH1626988, OC-0477, PB15213, RP09425, KS-000007C3, 1-N-Boc-3,3-difluoro-4-oxopyrrolidine, AK-76519, AS-34627, PC409033, AJ-116884, AX8222504, ST1251309, TC-068429, FT-0685885, Q-4140, J-524511, 1-Pyrrolidinecarboxylic acid, 3,3-difluoro-4-oxo-, 1,1-dimethylethyl ester, 121507-11-7, tert-Butyl3,3-difluoro-4-oxopyrrolidine-1-carboxylate,

Complexity	296
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.086g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.204g/mol
Monoisotopic Mass	221.086g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.4

GHS Hazard and Precautionary Statements

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

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