Cas no 51381-78-3 ( )
structure
Product Name:
CAS No:51381-78-3
MF:C14H10N2O2
MW:238.241403102875
CID:935248
PubChem ID:290808
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 6-methyl-8-nitrophenanthridine
- AC1L6EJI
- AC1Q210D
- AG-J-46972
- AR-1H2263
- CTK4J4131
- NSC155218
- NSC-155218
- DTXSID40302919
- 51381-78-3
-
-
- Inchi： 1S/C14H10N2O2/c1-9-13-8-10(16(17)18)6-7-11(13)12-4-2-3-5-14(12)15-9/h2-8H,1H3
- InChI Key： PMAMGXAJKCCOQC-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC2C3C=CC=CC=3N=C(C)C=2C=1)=O
Computed Properties
- Exact Mass: 238.0743
- Monoisotopic Mass: 238.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 0
- Complexity: 328
- 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: 3.7
- Topological Polar Surface Area: 58.7?2
Experimental Properties
- Density: 1.33
- Boiling Point: 436°C at 760 mmHg
- Flash Point: 217.5°C
- Refractive Index: 1.729
- PSA: 56.03
Related Literature
-
Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
-
Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
-
Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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