Cas no 141567-47-7 (2-Oxazolecarboxylic acid, 5-(bromomethyl)-, ethyl ester)
141567-47-7 structure
Product Name:2-Oxazolecarboxylic acid, 5-(bromomethyl)-, ethyl ester
CAS No:141567-47-7
MF:C7H8BrNO3
MW:234.04732131958
CID:1307232
PubChem ID:19105062
Update Time:2025-04-20
2-Oxazolecarboxylic acid, 5-(bromomethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 2-Oxazolecarboxylic acid, 5-(bromomethyl)-, ethyl ester
- OALJNMKDYSKDSH-UHFFFAOYSA-N
- Ethyl 5-(bromomethyl)oxazole-2-carboxylate
- 141567-47-7
- DB-114547
- SCHEMBL1935994
- ethyl 5-(bromomethyl)-2-oxazolecarboxylate
-
- Inchi： 1S/C7H8BrNO3/c1-2-11-7(10)6-9-4-5(3-8)12-6/h4H,2-3H2,1H3
- InChI Key： OALJNMKDYSKDSH-UHFFFAOYSA-N
- SMILES： BrCC1=CN=C(C(=O)OCC)O1
Computed Properties
- Exact Mass: 232.96874
- Monoisotopic Mass: 232.96876g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 165
- 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: 1.5
- Topological Polar Surface Area: 52.3?2
Experimental Properties
- PSA: 52.33
2-Oxazolecarboxylic acid, 5-(bromomethyl)-, ethyl ester Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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