AG005WRE

939793-16-5 | tert-Butyl 3-bromopyrrolidine-1-carboxylate

AG005WRE

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CAS Number	939793-16-5
Catalog Number	AG005WRE(AGN-PC-068B19)
Chemical Name	tert-Butyl 3-bromopyrrolidine-1-carboxylate
IUPAC Name	tert-butyl 3-bromopyrrolidine-1-carboxylate
InChI	InChI=1S/C9H16BrNO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3
InChI Key	QJTKPXFJOXKUEY-UHFFFAOYSA-N
MDL Number	MFCD08752478
Molecular Formula	C9H16BrNO2
Molecular Weight	250.1328
SMILES	CC(C)(C)OC(=O)N1CCC(Br)C1
Synonyms	939793-16-5, tert-butyl 3-bromopyrrolidine-1-carboxylate, N-Boc-3-Bromopyrrolidine, 1-Boc-3-bromopyrrolidine, 3-BROMO-PYRROLIDINE-1-CARBOXYLIC ACID TERT-BUTYL ESTER, (R)-1-Boc-3-bromopyrrolidine, MFCD08752478, C9H16BrNO2, ACMC-209zg9, SCHEMBL1328562, CTK5H4349, DTXSID90655068, 1-Boc-3-bromopyrrolidine, 96%, QJTKPXFJOXKUEY-UHFFFAOYSA-N, HT893, ACT10778, ANW-50215, CT0157, AKOS015836925, CS-W004795, GS-4188, MB06656, RP28893, RTR-029372, (^+)-1-Boc-3-bromopyrrolidine, 95%, AK-47649, BR-47649, SC-27251, SY029314, (+/-)-1-BOC-3-BROMOPYRROLIDINE, AB0007791, AB1009656, DB-079763, TR-029372, 4CH-006387, AM20120362, FT-0084598, FT-0660288, ST24033325, W9647, (RS) 1-tertbutoxycarbonyl-3-bromopyrrolidine, MFCD08752478 (97%), (RS) 1-tert-butoxycarbonyl-3-bromopyrrolidine, B66103, S-3837, J-504355, 2-Methyl-2-propanyl 3-bromo-1-pyrrolidinecarboxylate, I14-20507, 939793-16-5 tert-butyl 3-bromopyrrolidine-1-carboxylate, null, ACN-037876, (S)-tert-Butyl 3-bromopyrrolidine-1-carboxylate, C3013, tert-Butyl (3R)-3-bromopyrrolidine-1-carboxylate, tert-Butyl (3S)-3-bromopyrrolidine-1-carboxylate, 569660-89-5, 569660-97-5,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.036g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	250.136g/mol
Monoisotopic Mass	249.036g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H319-H400
Packing Group	Ⅲ
Precautionary statements	P264-P280i-P301+P312a-P337+P313-P501a-P273-P305+P351+P338
UN Code	UN 3077

Certificate of Analysis

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