Cas no 54605-16-2 (ethyl nitrobenzoate)
ethyl nitrobenzoate structure
Product Name:ethyl nitrobenzoate
ethyl nitrobenzoate Chemical and Physical Properties
Names and Identifiers
-
- ethyl nitrobenzoate
- Nitrobenzoesaureathylester
- Ethyl 2-nitrobenzoate
- 2-Nitrobenzoic acid ethyl ester
- A833013
- 2-Nitro-benzoic acid ethyl ester
- [1-methyl-2-(2-thienyl)ethyl] 4-methylbenzenesulfonate
- 54605-16-2
- NSC 4685
- EINECS 210-220-0
- Benzoic acid, o-nitro-, ethyl ester
- DTXSID60209855
- AKOS002723460
- 610-34-4
- DB-053774
- Benzoic acid, 2-nitro-, ethyl ester
- CS-0151743
- SY247981
- SCHEMBL1523174
- NJJ25B6JXT
- AC6461
- AI3-04245
- NSC4685
- AS-57615
- Ethyl o-nitrobenzoate
- MFCD00014696
- NSC-4685
- NS00034533
-
- Inchi： 1S/C9H9NO4/c1-2-14-9(11)7-5-3-4-6-8(7)10(12)13/h3-6H,2H2,1H3
- InChI Key： CPNMAYYYYSWTIV-UHFFFAOYSA-N
- SMILES： O(CC)C(C1C=CC=CC=1[N+](=O)[O-])=O
Computed Properties
- Exact Mass: 195.05315777g/mol
- Monoisotopic Mass: 195.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 223
- 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
- Topological Polar Surface Area: 72.1?2
ethyl nitrobenzoate Related Literature
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
-
Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
54605-16-2 (ethyl nitrobenzoate) Related Products
- 5292-45-5(Dimethyl nitroterephthalate)
- 21606-04-2(Methyl 3-Nitrophthalate)
- 148625-35-8(methyl 3-formyl-4-nitro-benzoate)
- 5471-82-9(Methyl 3-methyl-2-nitrobenzoate)
- 7356-11-8(Methyl 4-methyl-3-nitrobenzoate)
- 24078-21-5(Methyl 3-methyl-4-nitrobenzoate)
- 641-70-3(3-Nitrophthalic anhydride)
- 3816-62-4(Methyl 2-amino-5-nitrobenzoate)
- 30650-90-9(Ethyl 3-methyl-4-nitrobenzoate)
- 606-27-9(Methyl 2-nitrobenzoate)
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