Cas no 62129-25-3 (Benzamide, N-acetyl-3-nitro-)
Benzamide, N-acetyl-3-nitro- structure
Product Name:Benzamide, N-acetyl-3-nitro-
CAS No:62129-25-3
MF:C9H8N2O4
MW:208.170822143555
CID:457049
PubChem ID:19756873
Update Time:2025-04-19
Benzamide, N-acetyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzamide, N-acetyl-3-nitro-
- N-acetyl-3-nitrobenzamide
- DTXSID20599587
- SCHEMBL8544673
- QLKLHKKJXPXVMB-UHFFFAOYSA-N
- 62129-25-3
- 3-Nitro-N-(acetyl)phenylcarboxamide
-
- Inchi： 1S/C9H8N2O4/c1-6(12)10-9(13)7-3-2-4-8(5-7)11(14)15/h2-5H,1H3,(H,10,12,13)
- InChI Key： QLKLHKKJXPXVMB-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC=C(C=1)[N+](=O)[O-])NC(C)=O
Computed Properties
- Exact Mass: 208.04844
- Monoisotopic Mass: 208.04840674g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 284
- 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: 0.8
- Topological Polar Surface Area: 92?2
Experimental Properties
- PSA: 89.31
Benzamide, N-acetyl-3-nitro- Related Literature
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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