Cas no 139407-74-2 (6-Benzoxazolol, 2-(4-hydroxyphenyl)-)
139407-74-2 structure
Product Name:6-Benzoxazolol, 2-(4-hydroxyphenyl)-
CAS No:139407-74-2
MF:C13H9NO3
MW:227.215463399887
CID:1279517
PubChem ID:135471161
Update Time:2025-04-20
6-Benzoxazolol, 2-(4-hydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzoxazolol, 2-(4-hydroxyphenyl)-
- CHEMBL187673
- PD179951
- 139407-74-2
- 2-(4-Hydroxyphenyl)-1,3-benzoxazol-6-ol
- 2-(4-Hydroxy-phenyl)-benzooxazol-6-ol
- PDCFEVXISBNCNF-UHFFFAOYSA-N
- SCHEMBL2158317
- 2-(4-hydroxyphenyl)benzo[d]oxazol-6-ol
- BDBM50154053
-
- Inchi： 1S/C13H9NO3/c15-9-3-1-8(2-4-9)13-14-11-6-5-10(16)7-12(11)17-13/h1-7,15-16H
- InChI Key： PDCFEVXISBNCNF-UHFFFAOYSA-N
- SMILES： O1C(C2C=CC(=CC=2)O)=NC2C=CC(=CC1=2)O
Computed Properties
- Exact Mass: 227.05827
- Monoisotopic Mass: 227.058243149g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 1
- Complexity: 265
- 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: 2.7
- Topological Polar Surface Area: 66.5?2
Experimental Properties
- PSA: 66.49
6-Benzoxazolol, 2-(4-hydroxyphenyl)- Related Literature
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Daniel Messmer,Stefan Salentinig,Jakob Heier Nanoscale, 2019,11, 6929-6938
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
139407-74-2 (6-Benzoxazolol, 2-(4-hydroxyphenyl)-) Related Products
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- 59049-84-2(1,3-Bis(benzo[d]oxazol-2-yl)benzene)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
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