Cas no 32951-76-1 (5-methoxy-3-nitro-9-phenoxyacridine)
32951-76-1 structure
Product Name:5-methoxy-3-nitro-9-phenoxyacridine
CAS No:32951-76-1
MF:C20H14N2O4
MW:346.336164951324
CID:1454033
PubChem ID:208761
Update Time:2025-04-20
5-methoxy-3-nitro-9-phenoxyacridine Chemical and Physical Properties
Names and Identifiers
-
- 5-methoxy-3-nitro-9-phenoxyacridine
- Acridine, 5-methoxy-3-nitro-9-phenoxy-
- 32951-76-1
- DTXSID10186602
- 4-Methoxy-6-nitro-9-phenoxyacridine
- BRN 1552618
-
- Inchi： 1S/C20H14N2O4/c1-25-18-9-5-8-16-19(18)21-17-12-13(22(23)24)10-11-15(17)20(16)26-14-6-3-2-4-7-14/h2-12H,1H3
- InChI Key： KMGIWSFKWPDBSN-UHFFFAOYSA-N
- SMILES： O(C1C=CC=CC=1)C1C2C=CC(=CC=2N=C2C(=CC=CC=12)OC)[N+](=O)[O-]
Computed Properties
- Exact Mass: 346.09542
- Monoisotopic Mass: 346.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 26
- Rotatable Bond Count: 3
- Complexity: 491
- 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: 4.9
- Topological Polar Surface Area: 77.2?2
Experimental Properties
- Density: 1.345
- Boiling Point: 558°C at 760 mmHg
- Flash Point: 291.3°C
- Refractive Index: 1.702
- PSA: 74.49
5-methoxy-3-nitro-9-phenoxyacridine Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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