AG00971E

1189152-81-5 | (S)-tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate

AG00971E

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1189152-81-5
Catalog Number	AG00971E
Chemical Name	(S)-tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate
IUPAC Name	tert-butyl (2S)-2-(4-bromophenyl)pyrrolidine-1-carboxylate
InChI	InChI=1S/C15H20BrNO2/c1-15(2,3)19-14(18)17-10-4-5-13(17)11-6-8-12(16)9-7-11/h6-9,13H,4-5,10H2,1-3H3/t13-/m0/s1
InChI Key	PZDPUQUIZKCNOF-ZDUSSCGKSA-N
MDL Number	MFCD22741534
Molecular Formula	C15H20BrNO2
Molecular Weight	326.2288
SMILES	O=C(OC(C)(C)C)N1[C@@H](CCC1)C2=CC=C(C=C2)Br
Synonyms	(s)-tert-butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate, 1189152-81-5, SCHEMBL2169785, PZDPUQUIZKCNOF-ZDUSSCGKSA-N, MFCD22741534, ZINC85210032, AS-48635, AJ-126398, (S)-t-Butyl 2-(4-bromophenyl)pyrrolidine-1-carboxylate, (S)-2-(4-bromo-phenyl)-pyrrolidine-1-carboxylic acid tert-butyl ester,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	325.068g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	326.234g/mol
Monoisotopic Mass	325.068g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	29.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.8

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number