AG0002VH

1007882-59-8 | (S)-tert-Butyl 2-(4-bromo-1h-imidazol-2-yl)pyrrolidine-1-carboxylate

AG0002VH

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CAS Number	1007882-59-8
Catalog Number	AG0002VH(AGN-PC-0WAGK2)
Chemical Name	(S)-tert-Butyl 2-(4-bromo-1h-imidazol-2-yl)pyrrolidine-1-carboxylate
EC Number	813-157-2
IUPAC Name	tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
InChI	InChI=1S/C12H18BrN3O2/c1-12(2,3)18-11(17)16-6-4-5-8(16)10-14-7-9(13)15-10/h7-8H,4-6H2,1-3H3,(H,14,15)/t8-/m0/s1
InChI Key	GAZHEEFWONCMGH-QMMMGPOBSA-N
MDL Number	MFCD16620748
Molecular Formula	C12H18BrN3O2
Molecular Weight	316.1942
SMILES	O=C(N1[C@H](C2=NC=C(Br)N2)CCC1)OC(C)(C)C
Synonyms	1007882-59-8, (S)-tert-Butyl 2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, tert-butyl (2S)-2-(4-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, (S)-tert-Butyl 2-(4-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, (S)-tert-butyl 2-[5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, SCHEMBL45280, C12H18BrN3O2, PYR239, tert-butyl (2S)-2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, CTK8C0691, DTXSID00717969, GAZHEEFWONCMGH-QMMMGPOBSA-N, CS-M3324, ANW-65110, MFCD20924734, ZINC71973771, AKOS016005193, FCH3667897, OR52165, SB17695, KS-0000066C, AK103103, AS-51527, AJ-119005, AX8234642, TC-153855, Y5844, 1-Boc-(2S)-2-(4-Bromo-1H-imidazol-2-yl)pyrrolidine, (5)-tert-butyl 2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, (S)-tert-butyl 2- (4-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, tert-Butyl (S)-2-(4-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, (S)2-(4-bromo-1H-imidazol-2-yl)-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 2-(5-bromo-1H-imidazol-2-yl)-, 1,1-dimethylethyl ester, (2R)-, (S)-tert-Butyl2-(5-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, 1370600-56-8, tert-butyl (2R)-2-(4-bromo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, 1-Pyrrolidinecarboxylic acid, 2-(5-bromo-1H-imidazol-2-yl)-, 1,1-dimethylethyl ester, (2S)-,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	315.058g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	316.199g/mol
Monoisotopic Mass	315.058g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

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