Cas no 1037-31-6 (Benzoic acid, 4-nitro-,4-nitrophenyl ester)
1037-31-6 structure
Product Name:Benzoic acid, 4-nitro-,4-nitrophenyl ester
CAS No:1037-31-6
MF:C13H8N2O6
MW:288.212423324585
CID:228719
PubChem ID:347061
Update Time:2025-04-19
Benzoic acid, 4-nitro-,4-nitrophenyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-nitro-,4-nitrophenyl ester
- (4-nitrophenyl) 4-nitrobenzoate
- (4-Nitro-phenyl)-(4-nitro-benzoat)
- 4-Nitro-benzoesaeure-(4-nitro-phenylester)
- 4-nitro-benzoic acid-(4-nitro-phenyl ester)
- 4-nitrophenyl 4-nitrobenzoate
- 4-nitrophenyl-4-nitrobenzoate
- AC1L86F4
- ARONIS002576
- NSC405511
- Oprea1_814882
- Phenol, p-nitro-, p-nitro-benzoate
- STK080460
- MBSZPLPPLPIPMI-UHFFFAOYSA-N
- SCHEMBL542043
- 4-Nitro-benzoic acid 4-nitro-phenyl ester
- p-nitrophenyl p-nitrobenzoate
- DTXSID70324028
- AKOS000492233
- CHEMBL3272640
- NSC-405511
- 1037-31-6
- G65620
-
- Inchi： 1S/C13H8N2O6/c16-13(9-1-3-10(4-2-9)14(17)18)21-12-7-5-11(6-8-12)15(19)20/h1-8H
- InChI Key： MBSZPLPPLPIPMI-UHFFFAOYSA-N
- SMILES： O(C(C1C=CC(=CC=1)[N+](=O)[O-])=O)C1C=CC(=CC=1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 288.03824
- Monoisotopic Mass: 288.03823598g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 3
- Complexity: 400
- 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: 118?2
Experimental Properties
- PSA: 112.58
- LogP: 3.76860
Benzoic acid, 4-nitro-,4-nitrophenyl ester Related Literature
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Matthew J. Colthurst,Andrew Williams Org. Biomol. Chem. 2003 1 1995
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2. Kinetics and mechanism of phosphate-catalyzed hydrolysis of benzoate esters: comparison with nucleophilic catalysis by imidazole and o-iodosobenzoateOmar A. El Seoud,Marie-Fran?oise Ruasse,Wagner A. Rodrigues J. Chem. Soc. Perkin Trans. 2 2002 1053
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