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Home > Nitro Compounds > 1820583-10-5
1820583-10-5 | 1-benzyl-3-nitro-4-phenylpyrrolidine, trans
CAS No: 1820583-10-5 Catalog No: AG01B8LK MDL No:
Product Description
Catalog Number:
AG01B8LK
Chemical Name:
1-benzyl-3-nitro-4-phenylpyrrolidine, trans
CAS Number:
1820583-10-5
Molecular Formula:
C17H18N2O2
Molecular Weight:
282.3370
IUPAC Name:
(3S,4R)-1-benzyl-3-nitro-4-phenylpyrrolidine
InChI:
InChI=1S/C17H18N2O2/c20-19(21)17-13-18(11-14-7-3-1-4-8-14)12-16(17)15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17+/m0/s1
InChI Key:
BVUNFAAOQWGVQX-DLBZAZTESA-N
SMILES:
[O-][N+](=O)[C@@H]1CN(C[C@H]1c1ccccc1)Cc1ccccc1
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
282.137g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.343g/mol
Monoisotopic Mass:
282.137g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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