Cas no 600126-70-3 (Benzamide, N,3-dimethyl-2-nitro-)
600126-70-3 structure
Product Name:Benzamide, N,3-dimethyl-2-nitro-
CAS No:600126-70-3
MF:C9H10N2O3
MW:194.187302112579
CID:1622718
PubChem ID:3277654
Update Time:2025-04-21
Benzamide, N,3-dimethyl-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, N,3-dimethyl-2-nitro-
- N,3-dimethyl-2-nitroBenzamide
- STK499506
- DA-04524
- AKOS000370323
- 600126-70-3
-
- Inchi： 1S/C9H10N2O3/c1-6-4-3-5-7(9(12)10-2)8(6)11(13)14/h3-5H,1-2H3,(H,10,12)
- InChI Key： MTRVHOUBSJVKSD-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C)C=1[N+](=O)[O-])NC
Computed Properties
- Exact Mass: 194.0692
- Monoisotopic Mass: 194.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 237
- 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
- Topological Polar Surface Area: 74.9A^2
- XLogP3: 1.4
Experimental Properties
- PSA: 72.24
Benzamide, N,3-dimethyl-2-nitro- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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3. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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