Cas no 68548-50-5 (4-(4-methoxyphenoxy)benzoyl chloride)
68548-50-5 structure
Product Name:4-(4-methoxyphenoxy)benzoyl chloride
CAS No:68548-50-5
MF:C14H11ClO3
MW:262.688343286514
CID:1729234
PubChem ID:3017865
Update Time:2025-04-21
4-(4-methoxyphenoxy)benzoyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 4-(4-methoxyphenoxy)benzoyl chloride
- Benzoyl chloride, 4-(4-methoxyphenoxy)-
- SCHEMBL11511850
- 68548-50-5
- DTXSID10988224
-
- Inchi： 1S/C14H11ClO3/c1-17-11-6-8-13(9-7-11)18-12-4-2-10(3-5-12)14(15)16/h2-9H,1H3
- InChI Key： ZYKMMAMRXDNPOY-UHFFFAOYSA-N
- SMILES： ClC(C1C=CC(=CC=1)OC1C=CC(=CC=1)OC)=O
Computed Properties
- Exact Mass: 262.03973
- Monoisotopic Mass: 262.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 266
- 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: 4.5
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- Density: 1.248
- Boiling Point: 370°C at 760 mmHg
- Flash Point: 149.5°C
- Refractive Index: 1.575
- PSA: 35.53
4-(4-methoxyphenoxy)benzoyl chloride Related Literature
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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