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Home > Nitro Compounds > 89260-60-6
89260-60-6 | Pyrrolidine, 1-[[5-(4-nitrophenyl)-2-furanyl]methyl]-
CAS No: 89260-60-6 Catalog No: AG0041H7 MDL No:
Product Description
Catalog Number:
AG0041H7
Chemical Name:
Pyrrolidine, 1-[[5-(4-nitrophenyl)-2-furanyl]methyl]-
CAS Number:
89260-60-6
Molecular Formula:
C15H16N2O3
Molecular Weight:
272.2991
IUPAC Name:
1-[[5-(4-nitrophenyl)furan-2-yl]methyl]pyrrolidine
InChI:
InChI=1S/C15H16N2O3/c18-17(19)13-5-3-12(4-6-13)15-8-7-14(20-15)11-16-9-1-2-10-16/h3-8H,1-2,9-11H2
InChI Key:
KKMNFHWMRUKAMQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1ccc(o1)CN1CCCC1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.116g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.304g/mol
Monoisotopic Mass:
272.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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