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Home > Nitro Compounds > 312529-68-3
312529-68-3 | 1-[4-(4-nitrophenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
CAS No: 312529-68-3 Catalog No: AG00IVPM MDL No:MFCD00813622
Product Description
Catalog Number:
AG00IVPM
Chemical Name:
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
CAS Number:
312529-68-3
Molecular Formula:
C19H23N3O4
Molecular Weight:
357.4036
MDL Number:
MFCD00813622
IUPAC Name:
1-[4-(4-nitrophenyl)piperazin-1-yl]-3-phenoxypropan-2-ol
InChI:
InChI=1S/C19H23N3O4/c23-18(15-26-19-4-2-1-3-5-19)14-20-10-12-21(13-11-20)16-6-8-17(9-7-16)22(24)25/h1-9,18,23H,10-15H2
InChI Key:
JPJOVOODFZGOBN-UHFFFAOYSA-N
SMILES:
OC(CN1CCN(CC1)c1ccc(cc1)[N+](=O)[O-])COc1ccccc1
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.169g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
357.41g/mol
Monoisotopic Mass:
357.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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