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Home > Bromides > 1007882-04-3
1007882-04-3 | 1-Pyrrolidinecarboxylic acid, 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1007882-04-3 Catalog No: AG0002VM MDL No:MFCD19982645
Product Description
Catalog Number:
AG0002VM
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1007882-04-3
Molecular Formula:
C18H22BrN3O2
Molecular Weight:
392.2902
MDL Number:
MFCD19982645
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
SMILES:
Brc1ccc(cc1)c1cnc([nH]1)[C@@H]1CCCN1C(=O)OC(C)(C)C
Properties
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
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