Cas no 62529-25-3 (Phenol, 2-nitro-4-nonyl-)
Phenol, 2-nitro-4-nonyl- structure
Product Name:Phenol, 2-nitro-4-nonyl-
CAS No:62529-25-3
MF:C15H23NO3
MW:265.348024606705
CID:441439
PubChem ID:18183548
Update Time:2025-04-19
Phenol, 2-nitro-4-nonyl- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 2-nitro-4-nonyl-
- 2-nitro-4-nonylphenol
- SCHEMBL7094143
- 62529-25-3
- DTXSID30592640
- YOXDEECVKSRMRN-UHFFFAOYSA-N
-
- Inchi： 1S/C15H23NO3/c1-2-3-4-5-6-7-8-9-13-10-11-15(17)14(12-13)16(18)19/h10-12,17H,2-9H2,1H3
- InChI Key： YOXDEECVKSRMRN-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1[N+](=O)[O-])CCCCCCCCC
Computed Properties
- Exact Mass: 265.16789
- Monoisotopic Mass: 265.16779360g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 252
- 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: 6.6
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 63.37
Phenol, 2-nitro-4-nonyl- Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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