Cas no 88535-51-7 (Pyrene, 4-methyl-3-nitro-)
Pyrene, 4-methyl-3-nitro- structure
Product Name:Pyrene, 4-methyl-3-nitro-
CAS No:88535-51-7
MF:C17H11NO2
MW:261.274744272232
CID:629632
PubChem ID:14009572
Update Time:2025-04-19
Pyrene, 4-methyl-3-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Pyrene, 4-methyl-3-nitro-
- 10-methyl-1-nitropyrene
- 88535-51-7
- DTXSID30554268
-
- Inchi： 1S/C17H11NO2/c1-10-9-13-4-2-3-11-5-6-12-7-8-14(18(19)20)15(10)17(12)16(11)13/h2-9H,1H3
- InChI Key： KXCYTMKHRDSOJY-UHFFFAOYSA-N
- SMILES： [O-][N+](C1=CC=C2C=CC3=CC=CC4=CC(C)=C1C2=C43)=O
Computed Properties
- Exact Mass: 261.078978594g/mol
- Monoisotopic Mass: 261.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 20
- Rotatable Bond Count: 0
- Complexity: 404
- 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: 5.2
- Topological Polar Surface Area: 45.8?2
Pyrene, 4-methyl-3-nitro- Related Literature
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
88535-51-7 (Pyrene, 4-methyl-3-nitro-) Related Products
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- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
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