Cas no 7210-09-5 (Benzoxazole, 2,2'-(1,3-propanediyl)bis-)
7210-09-5 structure
Product Name:Benzoxazole, 2,2'-(1,3-propanediyl)bis-
CAS No:7210-09-5
MF:C17H14N2O2
MW:278.305263996124
CID:544503
PubChem ID:762901
Update Time:2025-04-19
Benzoxazole, 2,2'-(1,3-propanediyl)bis- Chemical and Physical Properties
Names and Identifiers
-
- Benzoxazole, 2,2'-(1,3-propanediyl)bis-
- 1,3-bis-(bezoxazole-2-yl)-propane
- AKOS001482446
- BRD-K98565962-001-01-4
- DTXSID80354078
- CCG-103400
- SR-01000391705-1
- IDI1_019667
- SR-01000391705
- 7210-09-5
- HMS1473P19
- ZKZOCZAJZUTROX-UHFFFAOYSA-N
- Oprea1_633201
- 2-[3-(1,3-benzoxazol-2-yl)propyl]-1,3-benzoxazole
- 1,3-bis(benzo[d]oxazol-2-yl)propane
- 1,3-bis-(benzoxazole-2-yl)-propane
- ChemDiv3_000349
- Oprea1_645699
- SCHEMBL9642061
-
- Inchi： 1S/C17H14N2O2/c1-3-8-14-12(6-1)18-16(20-14)10-5-11-17-19-13-7-2-4-9-15(13)21-17/h1-4,6-9H,5,10-11H2
- InChI Key： ZKZOCZAJZUTROX-UHFFFAOYSA-N
- SMILES： O1C2C=CC=CC=2N=C1CCCC1=NC2C=CC=CC=2O1
Computed Properties
- Exact Mass: 278.10562
- Monoisotopic Mass: 278.105527694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 21
- Rotatable Bond Count: 4
- Complexity: 320
- 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: 4.2
- Topological Polar Surface Area: 52.1?2
Experimental Properties
- PSA: 52.06
Benzoxazole, 2,2'-(1,3-propanediyl)bis- Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
-
Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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