Cas no 61220-63-1 (1,4-Benzenedicarboxylic acid, 2-nitro-, bis(1-methylethyl) ester)
61220-63-1 structure
Product Name:1,4-Benzenedicarboxylic acid, 2-nitro-, bis(1-methylethyl) ester
CAS No:61220-63-1
MF:C14H17NO6
MW:295.287884473801
CID:487845
PubChem ID:12443636
Update Time:2025-04-19
1,4-Benzenedicarboxylic acid, 2-nitro-, bis(1-methylethyl) ester Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenedicarboxylic acid, 2-nitro-, bis(1-methylethyl) ester
- dipropan-2-yl 2-nitrobenzene-1,4-dicarboxylate
- SCHEMBL11566829
- DTXSID10498474
- WGRYDTFDVJDMCG-UHFFFAOYSA-N
- Diisopropyl nitroterephthalate
- 61220-63-1
-
- Inchi： 1S/C14H17NO6/c1-8(2)20-13(16)10-5-6-11(12(7-10)15(18)19)14(17)21-9(3)4/h5-9H,1-4H3
- InChI Key： WGRYDTFDVJDMCG-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(C(=O)OC(C)C)=CC=1[N+](=O)[O-])=O)C(C)C
Computed Properties
- Exact Mass: 295.10561
- Monoisotopic Mass: 295.10558726g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 401
- 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: 98.4?2
Experimental Properties
- PSA: 95.74
1,4-Benzenedicarboxylic acid, 2-nitro-, bis(1-methylethyl) ester Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
61220-63-1 (1,4-Benzenedicarboxylic acid, 2-nitro-, bis(1-methylethyl) 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)
- 16533-45-2(2-(Ethoxycarbonyl)-6-nitrobenzoic acid)
- 641-70-3(3-Nitrophthalic anhydride)
- 30650-90-9(Ethyl 3-methyl-4-nitrobenzoate)
- 193014-01-6(Ethyl 3-amino-2-nitrobenzoate)
- 606-27-9(Methyl 2-nitrobenzoate)
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