Cas no 6760-41-4 (1,4-dimethyl-6-nitroquinolin-2-one)
6760-41-4 structure
Product Name:1,4-dimethyl-6-nitroquinolin-2-one
CAS No:6760-41-4
MF:C11H10N2O3
MW:218.20870256424
CID:966388
PubChem ID:327359
Update Time:2025-04-19
1,4-dimethyl-6-nitroquinolin-2-one Chemical and Physical Properties
Names and Identifiers
-
- 1,4-dimethyl-6-nitroquinolin-2-one
- 1,4-Dimethyl-6-nitro-1H-chinolin-2-on
- 1,4-dimethyl-6-nitro-1H-quinolin-2-one
- 1,4-Dimethyl-6-nitro-2(1H)-chinolinon
- 6-Nitro-1,4-dimethyl-2-chinolon
- AC1L70C8
- NSC302070
- SCHEMBL17576255
- 6760-41-4
- NSC 302070
- 2(1H)-Quinolinone, 1,4-dimethyl-6-nitro-
- 1,4-Dimethyl-6-nitroquinolin-2(1H)-one
- 1,4-dimethyl-6-nitro-1,2-dihydroquinolin-2-one
- NSC-302070
- DTXSID70316327
- AMY36351
-
- Inchi： 1S/C11H10N2O3/c1-7-5-11(14)12(2)10-4-3-8(13(15)16)6-9(7)10/h3-6H,1-2H3
- InChI Key： LJCFYZOIYFEDNQ-UHFFFAOYSA-N
- SMILES： O=C1C=C(C)C2C=C(C=CC=2N1C)[N+](=O)[O-]
Computed Properties
- Exact Mass: 218.0692
- Monoisotopic Mass: 218.06914219g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 359
- 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: 1.3
- Topological Polar Surface Area: 66.1?2
Experimental Properties
- PSA: 63.45
- LogP: 2.27830
1,4-dimethyl-6-nitroquinolin-2-one Related Literature
-
Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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