Cas no 74683-22-0 (Phenol, 3-(5-methyl-2-nitrophenoxy)-)
74683-22-0 structure
Product Name:Phenol, 3-(5-methyl-2-nitrophenoxy)-
CAS No:74683-22-0
MF:C13H11NO4
MW:245.230743646622
CID:540671
PubChem ID:12588694
Update Time:2025-04-19
Phenol, 3-(5-methyl-2-nitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Phenol, 3-(5-methyl-2-nitrophenoxy)-
- 3-(5-methyl-2-nitrophenoxy)phenol
- AKOS018646534
- 74683-22-0
- DTXSID20503543
-
- Inchi： 1S/C13H11NO4/c1-9-5-6-12(14(16)17)13(7-9)18-11-4-2-3-10(15)8-11/h2-8,15H,1H3
- InChI Key： IIDDWEXEJXGKLB-UHFFFAOYSA-N
- SMILES： O(C1C=CC=C(C=1)O)C1C=C(C)C=CC=1[N+](=O)[O-]
Computed Properties
- Exact Mass: 245.06883
- Monoisotopic Mass: 245.06880783g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 2
- Complexity: 291
- 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: 2.9
- Topological Polar Surface Area: 75.3?2
Experimental Properties
- PSA: 72.6
Phenol, 3-(5-methyl-2-nitrophenoxy)- Related Literature
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
74683-22-0 (Phenol, 3-(5-methyl-2-nitrophenoxy)-) Related Products
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