Cas no 170850-39-2 (Oxazole, 5-[4-(bromomethyl)phenyl]-)
![Oxazole, 5-[4-(bromomethyl)phenyl]- structure](https://ossimg.kuujia.com/scimg/171000/170850-39-2x500.png)
170850-39-2 structure
Product Name:Oxazole, 5-[4-(bromomethyl)phenyl]-
CAS No:170850-39-2
MF:C10H8BrNO
MW:238.08062171936
CID:1357960
PubChem ID:22358115
Update Time:2025-04-20
Oxazole, 5-[4-(bromomethyl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Oxazole, 5-[4-(bromomethyl)phenyl]-
- PGWXSOHYPOHPRI-UHFFFAOYSA-N
- 5-(4-bromomethyl-phenyl)-oxazole
- DB-206530
- 170850-39-2
- C90981
- SCHEMBL5567984
- 5-[4-(Bromomethyl)phenyl]oxazole
- 5-(4-(bromomethyl)phenyl)oxazole
-
- Inchi： 1S/C10H8BrNO/c11-5-8-1-3-9(4-2-8)10-6-12-7-13-10/h1-4,6-7H,5H2
- InChI Key： PGWXSOHYPOHPRI-UHFFFAOYSA-N
- SMILES： BrCC1C=CC(C2=CN=CO2)=CC=1
Computed Properties
- Exact Mass: 236.97894
- Monoisotopic Mass: 236.97893g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 157
- 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: 2.6
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.03
Oxazole, 5-[4-(bromomethyl)phenyl]- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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