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Home > Nitro Compounds > 265654-77-1
265654-77-1 | Pyrrolidine, 1-[2-(4-nitrophenoxy)ethyl]-
CAS No: 265654-77-1 Catalog No: AG002TPJ MDL No:MFCD01308390
Product Description
Catalog Number:
AG002TPJ
Chemical Name:
Pyrrolidine, 1-[2-(4-nitrophenoxy)ethyl]-
CAS Number:
265654-77-1
Molecular Formula:
C12H16N2O3
Molecular Weight:
236.2670
MDL Number:
MFCD01308390
IUPAC Name:
1-[2-(4-nitrophenoxy)ethyl]pyrrolidine
InChI:
InChI=1S/C12H16N2O3/c15-14(16)11-3-5-12(6-4-11)17-10-9-13-7-1-2-8-13/h3-6H,1-2,7-10H2
InChI Key:
RZIYRKYHMDDHCK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)OCCN1CCCC1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.271g/mol
Monoisotopic Mass:
236.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
58.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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