Cas no 77876-76-7 ( )
structure
Product Name:
CAS No:77876-76-7
MF:C16H12ClNO
MW:269.725583076477
CID:983872
PubChem ID:317503
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 77876-76-7
- NSC-249762
- DTXSID70312081
- 2-(3-chlorophenyl)-4-methyl-5-phenyl-1,3-oxazole
- 2-(3-CHLOROPHENYL)-4-METHYL-5-PHENYLOXAZOLE
- NSC249762
- DS-003313
-
-
- Inchi： 1S/C16H12ClNO/c1-11-15(12-6-3-2-4-7-12)19-16(18-11)13-8-5-9-14(17)10-13/h2-10H,1H3
- InChI Key： XJTAFGOXOAQBHN-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)C1=NC(C)=C(C2C=CC=CC=2)O1
Computed Properties
- Exact Mass: 269.06086
- Monoisotopic Mass: 269.061
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 19
- Rotatable Bond Count: 2
- Complexity: 293
- 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: 4.7
- Topological Polar Surface Area: 26?2
Experimental Properties
- Density: 1.202
- Boiling Point: 414.4°C at 760 mmHg
- Flash Point: 204.4°C
- Refractive Index: 1.588
- PSA: 26.03
Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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