Cas no 6921-49-9 (Benzene, 1-cyclobutyl-4-nitro-)
6921-49-9 structure
Product Name:Benzene, 1-cyclobutyl-4-nitro-
CAS No:6921-49-9
MF:C10H11NO2
MW:177.199842691422
CID:392040
PubChem ID:20534883
Update Time:2025-04-19
Benzene, 1-cyclobutyl-4-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-cyclobutyl-4-nitro-
- 1-cyclobutyl-4-nitrobenzene
- SCHEMBL10254999
- DTXSID90608453
- 6921-49-9
-
- Inchi： 1S/C10H11NO2/c12-11(13)10-6-4-9(5-7-10)8-2-1-3-8/h4-8H,1-3H2
- InChI Key： KLBFSIVMPHEWFC-UHFFFAOYSA-N
- SMILES： [O-][N+](C1C=CC(=CC=1)C1CCC1)=O
Computed Properties
- Exact Mass: 177.078978594g/mol
- Monoisotopic Mass: 177.078978594g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 188
- 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: 3.3
- Topological Polar Surface Area: 45.8?2
Benzene, 1-cyclobutyl-4-nitro- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
6921-49-9 (Benzene, 1-cyclobutyl-4-nitro-) Related Products
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