Cas no 611235-50-8 (1,3-Benzodioxole, 5-(3-nitrophenyl)-)
611235-50-8 structure
Product Name:1,3-Benzodioxole, 5-(3-nitrophenyl)-
CAS No:611235-50-8
MF:C13H9NO4
MW:243.214863538742
CID:1625405
PubChem ID:71197366
Update Time:2025-04-21
1,3-Benzodioxole, 5-(3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzodioxole, 5-(3-nitrophenyl)-
- 5-(3-nitrophenyl)-2H-1,3-benzodioxole
- 611235-50-8
- HS-5093
- SCHEMBL14539000
- 3'-Nitro-3,4-methylenedioxy-biphenyl
-
- Inchi： 1S/C13H9NO4/c15-14(16)11-3-1-2-9(6-11)10-4-5-12-13(7-10)18-8-17-12/h1-7H,8H2
- InChI Key： QSRBTAKPKQLALD-UHFFFAOYSA-N
- SMILES： O1COC2C=CC(=CC1=2)C1C=CC=C(C=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 243.05317
- Monoisotopic Mass: 243.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 317
- 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: 3.2
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- PSA: 61.6
1,3-Benzodioxole, 5-(3-nitrophenyl)- Related Literature
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
611235-50-8 (1,3-Benzodioxole, 5-(3-nitrophenyl)-) Related Products
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