Cas no 54571-03-8 (Benzoic acid, 3-nitro-,2-acetylhydrazide)
54571-03-8 structure
Product Name:Benzoic acid, 3-nitro-,2-acetylhydrazide
CAS No:54571-03-8
MF:C9H9N3O4
MW:223.185461759567
CID:383442
PubChem ID:3422246
Update Time:2025-04-19
Benzoic acid, 3-nitro-,2-acetylhydrazide Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 3-nitro-,2-acetylhydrazide
- N'1-acetyl-3-nitrobenzene-1-carbohydrazide
- N'-acetyl-3-nitrobenzohydrazide
- 54571-03-8
- Benzoic acid, 3-nitro-, 2-acetylhydrazide
- MFCD00277377
- SR-01000635603-1
- DTXSID10202997
- CCG-45859
- SCHEMBL4603889
- AKOS001581996
-
- Inchi： 1S/C9H9N3O4/c1-6(13)10-11-9(14)7-3-2-4-8(5-7)12(15)16/h2-5H,1H3,(H,10,13)(H,11,14)
- InChI Key： RDXCMJKLFYREGE-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C=1)[N+](=O)[O-])NNC(C)=O
Computed Properties
- Exact Mass: 223.05937
- Monoisotopic Mass: 223.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 1
- Complexity: 300
- 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: 0.5
- Topological Polar Surface Area: 104?2
Experimental Properties
- Density: 1.36
- Boiling Point: 509.9°Cat760mmHg
- Flash Point: 262.2°C
- Refractive Index: 1.581
- PSA: 101.34
Benzoic acid, 3-nitro-,2-acetylhydrazide Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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