AG000NVN

1255666-59-1 | 1-Azetidinecarboxylic acid, 3,3-difluoro-, 1,1-dimethylethyl ester

AG000NVN

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CAS Number	1255666-59-1
Catalog Number	AG000NVN(AGN-PC-0WBRJO)
Chemical Name	1-Azetidinecarboxylic acid, 3,3-difluoro-, 1,1-dimethylethyl ester
IUPAC Name	tert-butyl 3,3-difluoroazetidine-1-carboxylate
InChI	InChI=1S/C8H13F2NO2/c1-7(2,3)13-6(12)11-4-8(9,10)5-11/h4-5H2,1-3H3
InChI Key	GJXFELMSTZXKLU-UHFFFAOYSA-N
MDL Number	MFCD18381087
Molecular Formula	C8H13F2NO2
Molecular Weight	193.1911
SMILES	FC1(CN(C1)C(=O)OC(C)(C)C)F
Synonyms	1255666-59-1, TERT-BUTYL 3,3-DIFLUOROAZETIDINE-1-CARBOXYLATE, 3,3-DIFLUORO-1-BOC-AZETIDINE, Difluoro-1-Boc-azetidine, SCHEMBL12384327, KS-000006QL, MFCD18381087, ZINC72267049, AKOS025290039, FCH1160584, PB27185, AK172107, AS-34353, CS-0048350, Q-1099, 2-Methyl-2-propanyl 3,3-difluoro-1-azetidinecarboxylate, 1-Azetidinecarboxylic acid, 3,3-difluoro-, 1,1-dimethylethyl ester,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	193.091g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	193.194g/mol
Monoisotopic Mass	193.091g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number