AG005WRI

939759-26-9 | Benzyl 3-iodoazetidine-1-carboxylate

AG005WRI

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CAS Number	939759-26-9
Catalog Number	AG005WRI(AGN-PC-00VAJF)
Chemical Name	Benzyl 3-iodoazetidine-1-carboxylate
IUPAC Name	benzyl 3-iodoazetidine-1-carboxylate
InChI	InChI=1S/C11H12INO2/c12-10-6-13(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2
InChI Key	SNXKRIUJMHHPOB-UHFFFAOYSA-N
MDL Number	MFCD09026510
Molecular Formula	C11H12INO2
Molecular Weight	317.1230
SMILES	IC1CN(C1)C(=O)OCC1=CC=CC=C1
Synonyms	Benzyl 3-iodoazetidine-1-carboxylate, 939759-26-9, 1-Cbz-3-iodoazetidine, 3-iodo-azetidine-1-carboxylic acid benzyl ester, 1-Azetidinecarboxylic acid, 3-iodo-, phenylmethyl ester, J-504209, C11H12INO2, SCHEMBL9929268, CTK5H4339, DTXSID00585721, SNXKRIUJMHHPOB-UHFFFAOYSA-N, 1-Azetidinecarboxylic acid,3-iodo-, KS-000002XA, ANW-64539, MFCD09026510, ZINC19795775, AKOS015950105, FCH1738292, PB34338, RP07379, AJ-74991, AK103724, AS-33439, OR317157, SC-73861, AX8235263, DB-079757, TC-072676, CS-0045527, FT-0684709, Y4773, (phenylmethyl) 3-iodanylazetidine-1-carboxylate, C-8023, A844770, 3-iodo-1-azetidinecarboxylic acid (phenylmethyl) ester, Benzyl3-iodoazetidine-1-carboxylate, 3-IODO-AZETIDINE-1-CARBOXYLICACIDBENZYLESTER, 13362-81-7,

Complexity	223
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	316.991g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	317.126g/mol
Monoisotopic Mass	316.991g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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