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Home > Nitro Compounds > 832102-11-1
832102-11-1 | Pyrrolidine, 1-[(5-nitro-2-benzofuranyl)carbonyl]-
CAS No: 832102-11-1 Catalog No: AG004ZDJ MDL No:
Product Description
Catalog Number:
AG004ZDJ
Chemical Name:
Pyrrolidine, 1-[(5-nitro-2-benzofuranyl)carbonyl]-
CAS Number:
832102-11-1
Molecular Formula:
C13H12N2O4
Molecular Weight:
260.2454
IUPAC Name:
(5-nitro-1-benzofuran-2-yl)-pyrrolidin-1-ylmethanone
InChI:
InChI=1S/C13H12N2O4/c16-13(14-5-1-2-6-14)12-8-9-7-10(15(17)18)3-4-11(9)19-12/h3-4,7-8H,1-2,5-6H2
InChI Key:
WCORRDLONYOKFA-UHFFFAOYSA-N
SMILES:
O=C(c1cc2c(o1)ccc(c2)[N+](=O)[O-])N1CCCC1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.249g/mol
Monoisotopic Mass:
260.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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