AG0011P3

1363382-00-6 | 1-tert-butyl 3-methyl 3-fluoroazetidine-1,3-dicarboxylate

AG0011P3

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CAS Number	1363382-00-6
Catalog Number	AG0011P3(AGN-PC-0WCJC2)
Chemical Name	1-tert-butyl 3-methyl 3-fluoroazetidine-1,3-dicarboxylate
IUPAC Name	1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate
InChI	InChI=1S/C10H16FNO4/c1-9(2,3)16-8(14)12-5-10(11,6-12)7(13)15-4/h5-6H2,1-4H3
InChI Key	NBYZMANWZNNZDT-UHFFFAOYSA-N
MDL Number	MFCD20922778
Molecular Formula	C10H16FNO4
Molecular Weight	233.2367
SMILES	O=C(N1CC(C(OC)=O)(F)C1)OC(C)(C)C
Synonyms	1363382-00-6, 1-tert-butyl 3-methyl 3-fluoroazetidine-1,3-dicarboxylate, METHYL 1-BOC-3-FLUOROAZETIDINE-3-CARBOXYLATE, KS-000006ZC, MFCD20922778, ZINC95630132, AKOS025290123, FCH1631156, PB21535, AK172231, AS-34458, PC420020, CS-0045523, Q-3719, 1-O-tert-butyl 3-O-methyl 3-fluoroazetidine-1,3-dicarboxylate, 1,3-Azetidinedicarboxylic acid, 3-fluoro-, 1-(1,1-dimethylethyl) 3-methyl ester,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.106g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	233.239g/mol
Monoisotopic Mass	233.106g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	55.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1

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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