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Home > Nitro Compounds > 6149-33-3
6149-33-3 | 4-(4-Nitrophenoxy)aniline
CAS No: 6149-33-3 Catalog No: AG003K4Q MDL No:MFCD00060609
Product Description
Catalog Number:
AG003K4Q
Chemical Name:
4-(4-Nitrophenoxy)aniline
CAS Number:
6149-33-3
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
MDL Number:
MFCD00060609
IUPAC Name:
4-(4-nitrophenoxy)aniline
InChI:
InChI=1S/C12H10N2O3/c13-9-1-5-11(6-2-9)17-12-7-3-10(4-8-12)14(15)16/h1-8H,13H2
InChI Key:
ASAOLTVUTGZJST-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-]
EC Number:
228-159-3
UNII:
9MM61IM2B5
NSC Number:
74273
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| N-[4-(4-Nitro-phen-oxy)phen-yl]propionamide. | Acta crystallographica. Section E, Structure reports online 20081101 |
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