AG008Z2S

1064194-10-0 | tert-Butyl 3-bromoazetidine-1-carboxylate

AG008Z2S

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CAS Number	1064194-10-0
Catalog Number	AG008Z2S(AGN-PC-09RWKO)
Chemical Name	tert-Butyl 3-bromoazetidine-1-carboxylate
IUPAC Name	tert-butyl 3-bromoazetidine-1-carboxylate
InChI	InChI=1S/C8H14BrNO2/c1-8(2,3)12-7(11)10-4-6(9)5-10/h6H,4-5H2,1-3H3
InChI Key	RUTPPPNQDPSSBM-UHFFFAOYSA-N
MDL Number	MFCD16658899
Molecular Formula	C8H14BrNO2
Molecular Weight	236.1063
SMILES	CC(C)(C)OC(=O)N1CC(Br)C1
Synonyms	TERT-BUTYL 3-BROMOAZETIDINE-1-CARBOXYLATE, 1064194-10-0, N-Boc-3-Bromoazetidine, 1-BOC-3-BROMOAZETIDINE, AK-76800, 1-Boc-3-bromo-azetidine, 1-N-Boc-3-bromoazetidine, KSC919S4H, SCHEMBL14780394, CTK8B9943, DTXSID10697026, RUTPPPNQDPSSBM-UHFFFAOYSA-N, QC-18, KS-000006ZA, 1426AA, ANW-63690, CB-321, MFCD16658899, ZINC79017074, AKOS016003704, ACN-025374, FCH1346829, PB13698, VA80042, BC277375, DS-16755, OR317216, AB0000501, AJ-122842, AX8223057, DB-059471, ST2407664, TC-152435, 4CH-016831, CS-0028220, FT-0747230, A26702, B-1680, 3-bromo-azetidine-1-carboxylic acid tert-butyl ester, C8H14BrNO2, tert-Butyl3-bromoazetidine-1-carboxylate,

Complexity	182
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	235.021g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.109g/mol
Monoisotopic Mass	235.021g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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