Cas no 124390-37-0 (Chrysene,5-methyl-12-nitro-)
Chrysene,5-methyl-12-nitro- structure
Product Name:Chrysene,5-methyl-12-nitro-
CAS No:124390-37-0
MF:C19H13NO2
MW:287.312024831772
CID:189836
PubChem ID:147799
Update Time:2025-04-19
Chrysene,5-methyl-12-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Chrysene,5-methyl-12-nitro-
- 11-METHYL-6-NITROCHRYSENE
- 5-methyl-12-nitrochrysene
- CCRIS 3560
- DTXSID50154300
- G334O56391
- Chrysene, 5-methyl-12-nitro-
- UNII-G334O56391
- Q27278673
- 124390-37-0
-
- Inchi： 1S/C19H13NO2/c1-12-10-13-6-2-3-7-14(13)17-11-18(20(21)22)15-8-4-5-9-16(15)19(12)17/h2-11H,1H3
- InChI Key： OMBRRTHRPGDGPK-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC2=C3C=CC=CC3=CC(C)=C2C2C=CC=CC=21)=O
Computed Properties
- Exact Mass: 287.09469
- Monoisotopic Mass: 287.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 432
- 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: 45.8?2
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5.9
Experimental Properties
- Density: 1.306
- Boiling Point: 515°Cat760mmHg
- Flash Point: 253.3°C
- Refractive Index: 1.767
- PSA: 43.14
Chrysene,5-methyl-12-nitro- Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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