Cas no 27670-42-4 (Naphth[2,1-c]isoxazole(8CI,9CI))
27670-42-4 structure
Product Name:Naphth[2,1-c]isoxazole(8CI,9CI)
CAS No:27670-42-4
MF:C11H7NO
MW:169.179382562637
CID:251352
PubChem ID:17960256
Update Time:2025-04-19
Naphth[2,1-c]isoxazole(8CI,9CI) Chemical and Physical Properties
Names and Identifiers
-
- Naphth[2,1-c]isoxazole(8CI,9CI)
- benzo[e][2,1]benzoxazole
- DTXSID40591765
- NAPHTHO[2,1-C][1,2]OXAZOLE
- 27670-42-4
- SCHEMBL927155
-
- Inchi: 1S/C11H7NO/c1-2-4-9-8(3-1)5-6-11-10(9)7-13-12-11/h1-7H
- InChI Key: QJOFPHDURCNXSG-UHFFFAOYSA-N
- SMILES: O1C=C2C(C=CC3C=CC=CC2=3)=N1
Computed Properties
- Exact Mass: 169.05281
- Monoisotopic Mass: 169.052763847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 195
- 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
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Naphth[2,1-c]isoxazole(8CI,9CI) Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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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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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
27670-42-4 (Naphth[2,1-c]isoxazole(8CI,9CI)) Related Products
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