Cas no 95617-10-0 (6-chloro-2-(4-ethoxyphenoxy)-1,3-benzoxazole)
95617-10-0 structure
Product Name:6-chloro-2-(4-ethoxyphenoxy)-1,3-benzoxazole
CAS No:95617-10-0
MF:C15H12ClNO3
MW:289.713683128357
CID:1987706
PubChem ID:178782
Update Time:2025-04-21
6-chloro-2-(4-ethoxyphenoxy)-1,3-benzoxazole Chemical and Physical Properties
Names and Identifiers
-
- 6-chloro-2-(4-ethoxyphenoxy)-1,3-benzoxazole
- Benzoxazole, 6-chloro-2-(4-ethoxyphenoxy)-
- 95617-10-0
- DTXSID50241901
-
- Inchi： 1S/C15H12ClNO3/c1-2-18-11-4-6-12(7-5-11)19-15-17-13-8-3-10(16)9-14(13)20-15/h3-9H,2H2,1H3
- InChI Key： PRCOYJQZCXBQBP-UHFFFAOYSA-N
- SMILES： ClC1C=CC2=C(C=1)OC(=N2)OC1C=CC(=CC=1)OCC
Computed Properties
- Exact Mass: 289.051
- Monoisotopic Mass: 289.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 20
- Rotatable Bond Count: 4
- Complexity: 310
- 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: 3.8
- Topological Polar Surface Area: 44.5?2
Experimental Properties
- Density: 1.301
- Boiling Point: 416.1°C at 760 mmHg
- Flash Point: 205.5°C
- Refractive Index: 1.609
6-chloro-2-(4-ethoxyphenoxy)-1,3-benzoxazole Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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