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Home > Bromides > 1217654-48-2
1217654-48-2 | (2s,4s)-4-(4-bromobenzyl)pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
CAS No: 1217654-48-2 Catalog No: AG01ER2I MDL No:
Product Description
Catalog Number:
AG01ER2I
Chemical Name:
(2s,4s)-4-(4-bromobenzyl)pyrrolidine-1,2-dicarboxylic acid 1-tert-butyl ester
CAS Number:
1217654-48-2
Molecular Formula:
C17H22BrNO4
Molecular Weight:
384.2649
IUPAC Name:
4-[(4-bromophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C17H22BrNO4/c1-17(2,3)23-16(22)19-10-12(9-14(19)15(20)21)8-11-4-6-13(18)7-5-11/h4-7,12,14H,8-10H2,1-3H3,(H,20,21)
InChI Key:
QZQORNWXNRXMOS-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)C[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)C(=O)O
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.073g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
384.27g/mol
Monoisotopic Mass:
383.073g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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