Cas no 38178-41-5 (2-nitrodibenzo-4-dioxin)
2-nitrodibenzo-4-dioxin structure
Product Name:2-nitrodibenzo-4-dioxin
CAS No:38178-41-5
MF:C12H7NO4
MW:229.188283205032
CID:923144
PubChem ID:37925
Update Time:2025-04-19
2-nitrodibenzo-4-dioxin Chemical and Physical Properties
Names and Identifiers
-
- 2-nitrodibenzo-4-dioxin
- dibenzo[b,e][1,4]dioxin, 2-nitro-
- 2-Nitrodibenzo-p-dioxin
- DTXSID60959106
- 2-Nitro-dibenzo[1,4]dioxine
- DIBENZO-p-DIOXIN, 2-NITRO-
- Nitrodibenzo-p-dioxin
- SCHEMBL5798781
- 2-Nitro-dibenzo-p-dioxin
- 2-nitrooxanthrene
- CCRIS 2665
- CHEMBL166458
- 38178-41-5
-
- Inchi： 1S/C12H7NO4/c14-13(15)8-5-6-11-12(7-8)17-10-4-2-1-3-9(10)16-11/h1-7H
- InChI Key： PBIXRFKWYPNCAB-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2OC2C=CC(=CC1=2)[N+](=O)[O-]
Computed Properties
- Exact Mass: 229.03751
- Monoisotopic Mass: 229.03750770g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 303
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.9
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- PSA: 61.6
2-nitrodibenzo-4-dioxin Related Literature
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
38178-41-5 (2-nitrodibenzo-4-dioxin) Related Products
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- 32795-85-0(Benzene,1-methoxy-2-(4-nitrophenoxy)-)
- 304675-72-7(4-Nitroguaiacol potassium salt hydrate)
- 22528-34-3(3-(4-Nitrophenoxy)aniline)
- 101-63-3(1-nitro-4-(4-nitrophenoxy)benzene)
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