Cas no 66959-28-2 (Benz[cd]indole-5-carboxylicacid, 1,2-dihydro-6-nitro-2-oxo-)
![Benz[cd]indole-5-carboxylicacid, 1,2-dihydro-6-nitro-2-oxo- structure](https://ossimg.kuujia.com/scimg/67000/66959-28-2x500.png)
66959-28-2 structure
Product Name:Benz[cd]indole-5-carboxylicacid, 1,2-dihydro-6-nitro-2-oxo-
CAS No:66959-28-2
MF:C12H6N2O5
MW:258.18644285202
CID:522295
PubChem ID:5382560
Update Time:2025-04-19
Benz[cd]indole-5-carboxylicacid, 1,2-dihydro-6-nitro-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Benz[cd]indole-5-carboxylicacid, 1,2-dihydro-6-nitro-2-oxo-
- 6-nitro-2-oxo-1H-benzo[cd]indole-5-carboxylic acid
- 6-(Hydroxy(oxido)amino)-2-oxo-1,2-dihydrobenzo(cd)indole-5-carboxylic acid
- 6-(Hydroxy(oxido)amino)-2-oxo-1,2-dihydrobenzo[cd]indole-5-carboxylic acid
- CTK2F8184
- NSC144450
- NSC-144450
- nitro(oxo)[?]carboxylic acid
- 4SK2279549
- 1,2-Dihydro-6-nitro-2-oxobenz[cd]indole-5-carboxylic acid
- NSC 144450
- Benz[cd]indole-5-carboxylic acid, 1,2-dihydro-6-nitro-2-oxo-
- 66959-28-2
- DTXSID80217159
-
- Inchi： 1S/C12H6N2O5/c15-11-5-1-2-6(12(16)17)10-8(14(18)19)4-3-7(13-11)9(5)10/h1-4H,(H,13,15)(H,16,17)
- InChI Key： DHCFXWRTVNXHPG-UHFFFAOYSA-N
- SMILES： O=C1C2=CC=C(C(=O)O)C3=C(C=CC(=C32)N1)[N+](=O)[O-]
Computed Properties
- Exact Mass: 258.02768
- Monoisotopic Mass: 258.028
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 1
- Complexity: 446
- 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: 112A^2
- XLogP3: 1.4
Experimental Properties
- Density: 1.7
- Boiling Point: 450.4°C at 760 mmHg
- Flash Point: 226.2°C
- Refractive Index: 1.785
- PSA: 109.54
- LogP: 2.24870
Benz[cd]indole-5-carboxylicacid, 1,2-dihydro-6-nitro-2-oxo- Related Literature
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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