Cas no 102877-97-4 (Benzene,2-ethyl-1-methyl-4-nitro-)
102877-97-4 structure
Product Name:Benzene,2-ethyl-1-methyl-4-nitro-
CAS No:102877-97-4
MF:C9H11NO2
MW:165.189142465591
CID:125330
PubChem ID:20146924
Update Time:2025-04-18
Benzene,2-ethyl-1-methyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,2-ethyl-1-methyl-4-nitro-
- 2-Ethyl-1-methyl-4-nitrobenzene
- Toluene, 2-ethyl-4-nitro- (6CI)
- 2-Aethyl-1-methyl-4-nitro-benzol
- 2-ethyl-1-methyl-4-nitro-benzene
- 2-ethyl-4-nitrotoluene
- ACMC-20m5ub
- AG-D-12862
- CTK4A1572
- DTXSID00602962
- SCHEMBL10175659
- Toluene, 2-ethyl-4-nitro- (6CI)
- 102877-97-4
-
- Inchi： 1S/C9H11NO2/c1-3-8-6-9(10(11)12)5-4-7(8)2/h4-6H,3H2,1-2H3
- InChI Key： LMQDBPDUJYGYJF-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(C)=C(C=1)CC)=O
Computed Properties
- Exact Mass: 165.078979g/mol
- Monoisotopic Mass: 165.078979g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 164
- 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
- Molecular Weight: 165.19g/mol
- XLogP3: 3.3
- Topological Polar Surface Area: 45.8?2
Experimental Properties
- PSA: 45.82000
- LogP: 2.98880
Benzene,2-ethyl-1-methyl-4-nitro- Related Literature
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Veluru Jagadeesh babu,Sesha Vempati RSC Adv., 2015,5, 66367-66375
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
102877-97-4 (Benzene,2-ethyl-1-methyl-4-nitro-) Related Products
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