Cas no 153500-77-7 (2-(2-biphenylyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole)
153500-77-7 structure
Product Name:2-(2-biphenylyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
CAS No:153500-77-7
MF:C9H9ClFNO2
MW:217.624665021896
CID:1327425
PubChem ID:21807200
Update Time:2025-04-20
2-(2-biphenylyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole Chemical and Physical Properties
Names and Identifiers
-
- 2-(2-Biphenylyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
- BENZOIC ACID,2-AMINO-4-CHLORO-5-FLUORO-,ETHYL ESTER
- 153500-77-7
- SCHEMBL9573792
- ethyl 2-amino-4-chloro-5-fluorobenzoate
- 2-(2-biphenylyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole
-
- MDL： MFCD15523632
- Inchi： 1S/C9H9ClFNO2/c1-2-14-9(13)5-3-7(11)6(10)4-8(5)12/h3-4H,2,12H2,1H3
- InChI Key： FDDNKTLDJHDFLC-UHFFFAOYSA-N
- SMILES： ClC1C(=CC(C(=O)OCC)=C(C=1)N)F
Computed Properties
- Exact Mass: 217.0305844g/mol
- Monoisotopic Mass: 217.0305844g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 215
- 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: 52.3?2
2-(2-biphenylyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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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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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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