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Home > Nitro Compounds > 145104-99-0
145104-99-0 | PYRROLIDINE, 3-(3-NITROPHENYL)-1-(PHENYLMETHYL)-
CAS No: 145104-99-0 Catalog No: AG001KL2 MDL No:
Product Description
Catalog Number:
AG001KL2
Chemical Name:
PYRROLIDINE, 3-(3-NITROPHENYL)-1-(PHENYLMETHYL)-
CAS Number:
145104-99-0
Molecular Formula:
C17H18N2O2
Molecular Weight:
282.3370
IUPAC Name:
1-benzyl-3-(3-nitrophenyl)pyrrolidine
InChI:
InChI=1S/C17H18N2O2/c20-19(21)17-8-4-7-15(11-17)16-9-10-18(13-16)12-14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2
InChI Key:
DPNFJXMDTHSRGF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)C1CCN(C1)Cc1ccccc1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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