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867256-58-4 | Pyrrolidine, 1-(4-bromobenzoyl)-2-(1-pyrrolidinylmethyl)-, (2S)-
CAS No: 867256-58-4 Catalog No: AG004T1V MDL No:
Product Description
Catalog Number:
AG004T1V
Chemical Name:
Pyrrolidine, 1-(4-bromobenzoyl)-2-(1-pyrrolidinylmethyl)-, (2S)-
CAS Number:
867256-58-4
Molecular Formula:
C16H21BrN2O
Molecular Weight:
337.2547
IUPAC Name:
(4-bromophenyl)-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
InChI:
InChI=1S/C16H21BrN2O/c17-14-7-5-13(6-8-14)16(20)19-11-3-4-15(19)12-18-9-1-2-10-18/h5-8,15H,1-4,9-12H2/t15-/m0/s1
InChI Key:
NEBSZQSSZVJJCO-HNNXBMFYSA-N
SMILES:
Brc1ccc(cc1)C(=O)N1CCC[C@H]1CN1CCCC1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
336.084g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.261g/mol
Monoisotopic Mass:
336.084g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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