Cas no 3555-18-8 (Phenol,4-(1-methylpropyl)-2-nitro-)
3555-18-8 structure
Product Name:Phenol,4-(1-methylpropyl)-2-nitro-
CAS No:3555-18-8
MF:C10H13NO3
MW:195.215122938156
CID:305792
PubChem ID:19085
Update Time:2025-04-19
Phenol,4-(1-methylpropyl)-2-nitro- Chemical and Physical Properties
Names and Identifiers
-
- Phenol,4-(1-methylpropyl)-2-nitro-
- 4-(1-methylpropyl)-2-nitrophenol
- 4-butan-2-yl-2-nitrophenol
- R676Q74TNR
- 3555-18-8
- Phenol, 4-sec-butyl-2-nitro-
- DTXSID40871034
- NS00048443
- 4-sec-Butyl-2-nitrophenol
- Phenol, 4-(1-methylpropyl)-2-nitro
- Phenol, 4-(1-methylpropyl)-2-nitro-
- 4-s-butyl-2-nitrophenol
- AKOS024323963
- SCHEMBL10536423
- EINECS 222-611-3
-
- Inchi： 1S/C10H13NO3/c1-3-7(2)8-4-5-10(12)9(6-8)11(13)14/h4-7,12H,3H2,1-2H3
- InChI Key： GCDCKEORRIGZKI-UHFFFAOYSA-N
- SMILES： OC1C=CC(=CC=1[N+](=O)[O-])C(C)CC
Computed Properties
- Exact Mass: 195.08959
- Monoisotopic Mass: 195.08954328g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 202
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 66?2
Experimental Properties
- PSA: 63.37
Phenol,4-(1-methylpropyl)-2-nitro- Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
3555-18-8 (Phenol,4-(1-methylpropyl)-2-nitro-) Related Products
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