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Home > Bromides > 1250939-45-7
1250939-45-7 | 1-Pyrrolidinecarboxylic acid, 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-methyl-, 1,1-dimethylethyl ester, (2S,4S)-
CAS No: 1250939-45-7 Catalog No: AG000N44 MDL No:
Product Description
Catalog Number:
AG000N44
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-methyl-, 1,1-dimethylethyl ester, (2S,4S)-
CAS Number:
1250939-45-7
Molecular Formula:
C19H24BrN3O2
Molecular Weight:
406.3168
IUPAC Name:
tert-butyl (2S,4S)-2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-4-methylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C19H24BrN3O2/c1-12-9-16(23(11-12)18(24)25-19(2,3)4)17-21-10-15(22-17)13-5-7-14(20)8-6-13/h5-8,10,12,16H,9,11H2,1-4H3,(H,21,22)/t12-,16-/m0/s1
InChI Key:
BVJFVSRRBMLMHC-LRDDRELGSA-N
SMILES:
C[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)c1ncc([nH]1)c1ccc(cc1)Br
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
405.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.324g/mol
Monoisotopic Mass:
405.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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