Cas no 62351-79-5 (1,2-Benzenedicarboxylic acid, 3-nitro-, diethyl ester)
62351-79-5 structure
Product Name:1,2-Benzenedicarboxylic acid, 3-nitro-, diethyl ester
CAS No:62351-79-5
MF:C12H13NO6
MW:267.234723806381
CID:448276
PubChem ID:12375604
Update Time:2025-04-19
1,2-Benzenedicarboxylic acid, 3-nitro-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenedicarboxylic acid, 3-nitro-, diethyl ester
- diethyl 3-nitrobenzene-1,2-dicarboxylate
- diethyl 3-nitrophthalate
- SCHEMBL11464655
- 3-nitrophthalic acid diethyl ester
- DTXSID80495076
- FT-0732515
- 62351-79-5
- XPSYMRWVHURDQP-UHFFFAOYSA-N
-
- Inchi： 1S/C12H13NO6/c1-3-18-11(14)8-6-5-7-9(13(16)17)10(8)12(15)19-4-2/h5-7H,3-4H2,1-2H3
- InChI Key： XPSYMRWVHURDQP-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C(=CC=CC=1C(=O)OCC)[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 267.07429
- Monoisotopic Mass: 267.07428713g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 351
- 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: 2.1
- Topological Polar Surface Area: 98.4?2
Experimental Properties
- PSA: 95.74
1,2-Benzenedicarboxylic acid, 3-nitro-, diethyl ester Related Literature
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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3. 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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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
62351-79-5 (1,2-Benzenedicarboxylic acid, 3-nitro-, diethyl ester) Related Products
- 5292-45-5(Dimethyl nitroterephthalate)
- 21606-04-2(Methyl 3-Nitrophthalate)
- 5471-82-9(Methyl 3-methyl-2-nitrobenzoate)
- 65399-18-0(4-Nitrophthalide)
- 13365-26-9(Dimethyl 3-nitrophthalate)
- 641-70-3(3-Nitrophthalic anhydride)
- 30650-90-9(Ethyl 3-methyl-4-nitrobenzoate)
- 193014-01-6(Ethyl 3-amino-2-nitrobenzoate)
- 153813-69-5(methyl 4-formyl-3-nitro-benzoate)
- 606-27-9(Methyl 2-nitrobenzoate)
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