Cas no 62606-05-7 (Benzenamine, N-(3-methoxy-5-nitrophenyl)-2,4,6-trinitro-)
62606-05-7 structure
Product Name:Benzenamine, N-(3-methoxy-5-nitrophenyl)-2,4,6-trinitro-
CAS No:62606-05-7
MF:C13H9N5O9
MW:379.238662481308
CID:438393
PubChem ID:71384695
Update Time:2025-04-19
Benzenamine, N-(3-methoxy-5-nitrophenyl)-2,4,6-trinitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, N-(3-methoxy-5-nitrophenyl)-2,4,6-trinitro-
- N-(3-methoxy-5-nitrophenyl)-2,4,6-trinitroaniline
- 62606-05-7
- DTXSID80806946
-
- Inchi： 1S/C13H9N5O9/c1-27-10-3-7(2-8(4-10)15(19)20)14-13-11(17(23)24)5-9(16(21)22)6-12(13)18(25)26/h2-6,14H,1H3
- InChI Key： IMUFBWYHKYASEA-UHFFFAOYSA-N
- SMILES： O(C)C1C=C(C=C(C=1)NC1C(=CC(=CC=1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]
Computed Properties
- Exact Mass: 379.04007
- Monoisotopic Mass: 379.04002688g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 27
- Rotatable Bond Count: 3
- Complexity: 571
- 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: 3.3
- Topological Polar Surface Area: 205?2
Experimental Properties
- PSA: 193.82
Benzenamine, N-(3-methoxy-5-nitrophenyl)-2,4,6-trinitro- Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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