AG0002VM

1007882-04-3 | 1-Pyrrolidinecarboxylic acid, 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (2S)-

AG0002VM

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CAS Number	1007882-04-3
Catalog Number	AG0002VM(AGN-PC-0WCRHS)
Chemical Name	1-Pyrrolidinecarboxylic acid, 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (2S)-
IUPAC Name	tert-butyl (2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
InChI	InChI=1S/C18H22BrN3O2/c1-18(2,3)24-17(23)22-10-4-5-15(22)16-20-11-14(21-16)12-6-8-13(19)9-7-12/h6-9,11,15H,4-5,10H2,1-3H3,(H,20,21)/t15-/m0/s1
InChI Key	SEJWRHUDDTVGHP-HNNXBMFYSA-N
MDL Number	MFCD19982645
Molecular Formula	C18H22BrN3O2
Molecular Weight	392.2902
SMILES	O=C(N1[C@H](C2=NC=C(C3=CC=C(Br)C=C3)N2)CCC1)OC(C)(C)C
Synonyms	1007882-04-3, (S)-tert-butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, tert-butyl (2S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate, SCHEMBL203413, SEJWRHUDDTVGHP-HNNXBMFYSA-N, MFCD19982645, ZINC71973389, AKOS027335673, SB18148, CS-0037728, (s)-2-[5-(4-bromo-phenyl)-1h-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester, (S)-t-Butyl 2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, (S)-tert-butyl 2-(4-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, tert-butyl (25)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate, tert-butyl (S)-2-(5-(4-bromophenyl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate, (S)-2-[4-(4-bromo-phenyl)-1H-imidazol-2-yl]-pyrrolidine-1-carboxylic acid tert-butyl ester, 1-Pyrrolidinecarboxylic acid, 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (2S)-,

Complexity	446
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	391.09g/mol
Formal Charge	0
Heavy Atom Count	24
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	392.297g/mol
Monoisotopic Mass	391.09g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	58.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

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