AG009WOD

1357614-50-6 | 1-Boc-3-(4-bromophenyl)-3-hydroxyazetidine

AG009WOD

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CAS Number	1357614-50-6
Catalog Number	AG009WOD(AGN-PC-0WANCT)
Chemical Name	1-Boc-3-(4-bromophenyl)-3-hydroxyazetidine
IUPAC Name	tert-butyl 3-(4-bromophenyl)-3-hydroxyazetidine-1-carboxylate
InChI	InChI=1S/C14H18BrNO3/c1-13(2,3)19-12(17)16-8-14(18,9-16)10-4-6-11(15)7-5-10/h4-7,18H,8-9H2,1-3H3
InChI Key	XRLOWKAACZKDBK-UHFFFAOYSA-N
MDL Number	MFCD27922236
Molecular Formula	C14H18BrNO3
Molecular Weight	328.2016
SMILES	O=C(N1CC(O)(C2=CC=C(Br)C=C2)C1)OC(C)(C)C
Synonyms	1357614-50-6, TERT-BUTYL 3-(4-BROMOPHENYL)-3-HYDROXYAZETIDINE-1-CARBOXYLATE, 1-Boc-3-(4-bromophenyl)-3-hydroxyazetidine, SCHEMBL569651, XRLOWKAACZKDBK-UHFFFAOYSA-N, tert-butyl 3-(4-bromophenyl )-3-hydroxyazetidine-1-carboxylate, MFCD27922236, ZINC96028690, AKOS027323188, SB22262, AK315055, DS-12159, SY096682, CS-0045345, MFCD27922236 (95%), t-Butyl 3-(4-bromophenyl)-3-hydroxyazetidine-1-carboxylate, tert-Butyl3-(4-bromophenyl)-3-hydroxyazetidine-1-carboxylate,

Complexity	339
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	327.047g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	328.206g/mol
Monoisotopic Mass	327.047g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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