Cas no 62122-64-9 (Ethanol, 2-(3-bromo-5-nitrophenoxy)-)
62122-64-9 structure
Product Name:Ethanol, 2-(3-bromo-5-nitrophenoxy)-
CAS No:62122-64-9
MF:C8H8BrNO4
MW:262.057421684265
CID:457261
PubChem ID:12299077
Update Time:2025-04-19
Ethanol, 2-(3-bromo-5-nitrophenoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanol, 2-(3-bromo-5-nitrophenoxy)-
- 2-(3-bromo-5-nitrophenoxy)ethanol
- DTXSID00486123
- 62122-64-9
-
- Inchi： 1S/C8H8BrNO4/c9-6-3-7(10(12)13)5-8(4-6)14-2-1-11/h3-5,11H,1-2H2
- InChI Key： ARWRHVUUTYKJNL-UHFFFAOYSA-N
- SMILES： BrC1C=C(C=C(C=1)OCCO)[N+](=O)[O-]
Computed Properties
- Exact Mass: 260.96364
- Monoisotopic Mass: 260.96367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 196
- 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: 1.7
- Topological Polar Surface Area: 75.3?2
Experimental Properties
- PSA: 72.6
Ethanol, 2-(3-bromo-5-nitrophenoxy)- Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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