AG00IJGC

958026-66-9 | tert-Butyl 3-(2-bromoethyl)pyrrolidine-1-carboxylate

AG00IJGC

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CAS Number	958026-66-9
Catalog Number	AG00IJGC(AGN-PC-0C31IX)
Chemical Name	tert-Butyl 3-(2-bromoethyl)pyrrolidine-1-carboxylate
IUPAC Name	tert-butyl 3-(2-bromoethyl)pyrrolidine-1-carboxylate
InChI	InChI=1S/C11H20BrNO2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-8H2,1-3H3
InChI Key	SEFXLCQXQDYFPR-UHFFFAOYSA-N
MDL Number	MFCD24381658
Molecular Formula	C11H20BrNO2
Molecular Weight	278.1860
SMILES	O=C(N1CC(CCBr)CC1)OC(C)(C)C
Synonyms	tert-Butyl 3-(2-bromoethyl)pyrrolidine-1-carboxylate, 958026-66-9, SCHEMBL3247525, KS-00000SIT, 1-Boc 3-(2-bromoethyl)pyrrolidine, 1-Boc-3-(2-bromoethyl)pyrrolidine, MFCD24381658, AKOS023410528, DS-9689, AK159818, AM101754, F2147-3826, SEFXLCQXQDYFPR-UHFFFAOYSA-N, tert-Butyl 3-(2-bromoethyl)pyrrolidine-1-carboxylate, 95% - 1G 1g,

Complexity	225
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	277.068g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	278.19g/mol
Monoisotopic Mass	277.068g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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