Cas no 2403-49-8 (Benzene,1-(diethoxymethyl)-3-nitro-)
2403-49-8 structure
Product Name:Benzene,1-(diethoxymethyl)-3-nitro-
CAS No:2403-49-8
MF:C11H15NO4
MW:225.241103410721
CID:284302
PubChem ID:326161
Update Time:2025-04-19
Benzene,1-(diethoxymethyl)-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-(diethoxymethyl)-3-nitro-
- 3-Nitro-benzaldehyd-diaethylacetal
- 3-Nitro-benzaldehyd-diethylacetal
- 3-nitro-benzaldehyde diethylacetal
- 3-Nitro-benzaldiaethylaether
- 3-Nitro-benzylidendiaethylaether
- AC1L6XS1
- m-Nitrobenzaldehyd-diaethylacetal
- m-Nitrobenzaldehyd-diethylacetal
- NSC296501
- 2403-49-8
- 1-(diethoxymethyl)-3-nitrobenzene
- NSC-296501
- SCHEMBL10638754
- DBFFJBYBAVNICK-UHFFFAOYSA-N
- DTXSID50315712
- 3-nitrobenzaldehyde diethyl acetal
-
- Inchi： 1S/C11H15NO4/c1-3-15-11(16-4-2)9-6-5-7-10(8-9)12(13)14/h5-8,11H,3-4H2,1-2H3
- InChI Key： DBFFJBYBAVNICK-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC=C(C=1)[N+](=O)[O-])OCC
Computed Properties
- Exact Mass: 225.10015
- Monoisotopic Mass: 225.10010796g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
- Complexity: 211
- 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: 2.4
- Topological Polar Surface Area: 64.3?2
Experimental Properties
- PSA: 61.6
Benzene,1-(diethoxymethyl)-3-nitro- Related Literature
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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