Cas no 18436-62-9 (Benzene,1-(2,2-dimethoxyethyl)-4-nitro-)
18436-62-9 structure
Product Name:Benzene,1-(2,2-dimethoxyethyl)-4-nitro-
CAS No:18436-62-9
MF:C10H13NO4
MW:211.214523077011
CID:123002
PubChem ID:11310361
Update Time:2025-04-18
Benzene,1-(2,2-dimethoxyethyl)-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,1-(2,2-dimethoxyethyl)-4-nitro-
- 1-(2,2-Dimethoxyethyl)-4-nitro-benzene
- P-NITROBENZENEACETALDEHYDE DIMETHYL ACETAL
- SCHEMBL7092098
- P-NITROBENZENEACETALDEHYDEDIMETHYLACETAL
- 1-(2,2-Dimethoxyethyl)-4-nitrobenzene
- 18436-62-9
- p-Nitrobenzene acetaldehyde dimethyl acetal
-
- Inchi： 1S/C10H13NO4/c1-14-10(15-2)7-8-3-5-9(6-4-8)11(12)13/h3-6,10H,7H2,1-2H3
- InChI Key： VXOYCTCFTVQQBU-UHFFFAOYSA-N
- SMILES： O(C)C(CC1C=CC(=CC=1)[N+](=O)[O-])OC
Computed Properties
- Exact Mass: 211.08449
- Monoisotopic Mass: 211.08445790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 192
- 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-(2,2-dimethoxyethyl)-4-nitro- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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