Cas no 105802-11-7 (Chrysene,5-methyl-6-nitro-)
Chrysene,5-methyl-6-nitro- structure
Product Name:Chrysene,5-methyl-6-nitro-
CAS No:105802-11-7
MF:C19H13NO2
MW:287.312024831772
CID:199221
PubChem ID:60025
Update Time:2025-04-19
Chrysene,5-methyl-6-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Chrysene,5-methyl-6-nitro-
- 5-Methyl-6-nitrochrysene
- 6-Nitro-5-methylchrysene
- AC1L1SGB
- AC1Q21B1
- ACMC-20m90c
- CCRIS 1787
- CTK4A4141
- CHRYSENE, 5-METHYL-6-NITRO-
- UNII-D2LQ2KQL3Q
- DTXSID30147351
- D2LQ2KQL3Q
- 105802-11-7
-
- Inchi: 1S/C19H13NO2/c1-12-18-14-7-3-2-6-13(14)10-11-16(18)15-8-4-5-9-17(15)19(12)20(21)22/h2-11H,1H3
- InChI Key: BRHWSCIEJDCELY-UHFFFAOYSA-N
- SMILES: [O-][N+](C1=C2C=CC=CC2=C2C=CC3C=CC=CC=3C2=C1C)=O
Computed Properties
- Exact Mass: 287.09469
- Monoisotopic Mass: 287.094629
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 5.9
- Topological Polar Surface Area: 45.8
Experimental Properties
- Density: 1.306
- Boiling Point: 508.9°Cat760mmHg
- Flash Point: 249.5°C
- Refractive Index: 1.767
- PSA: 43.14
- LogP: 5.88600
Chrysene,5-methyl-6-nitro- Related Literature
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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