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Home > Bromides > 1007882-59-8
1007882-59-8 | 1-Pyrrolidinecarboxylic acid, 2-(5-bromo-1H-imidazol-2-yl)-, 1,1-dimethylethyl ester, (2S)-
CAS No: 1007882-59-8 Catalog No: AG0002VH MDL No:MFCD16620748
Product Description
Catalog Number:
AG0002VH
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-(5-bromo-1H-imidazol-2-yl)-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
1007882-59-8
Molecular Formula:
C12H18BrN3O2
Molecular Weight:
316.1942
MDL Number:
MFCD16620748
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
SMILES:
O=C(N1CCC[C@H]1c1ncc([nH]1)Br)OC(C)(C)C
EC Number:
813-157-2
Properties
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
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