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Home > Nitro Compounds > 1089280-28-3
1089280-28-3 | 1-(3-ethoxy-4-nitrophenyl)piperazine
CAS No: 1089280-28-3 Catalog No: AG01BH0Q MDL No:MFCD18605294
Product Description
Catalog Number:
AG01BH0Q
Chemical Name:
1-(3-ethoxy-4-nitrophenyl)piperazine
CAS Number:
1089280-28-3
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
MDL Number:
MFCD18605294
IUPAC Name:
1-(3-ethoxy-4-nitrophenyl)piperazine
InChI:
InChI=1S/C12H17N3O3/c1-2-18-12-9-10(3-4-11(12)15(16)17)14-7-5-13-6-8-14/h3-4,9,13H,2,5-8H2,1H3
InChI Key:
AFYYDDWMIXLCNV-UHFFFAOYSA-N
SMILES:
CCOc1cc(ccc1[N+](=O)[O-])N1CCNCC1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.127g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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