Cas no 60336-00-7 (2-Furancarbonyl chloride, 5-(4-methylphenyl)-)
60336-00-7 structure
Product Name:2-Furancarbonyl chloride, 5-(4-methylphenyl)-
CAS No:60336-00-7
MF:C12H9ClO2
MW:220.65166258812
CID:1619688
PubChem ID:12280372
Update Time:2025-04-21
2-Furancarbonyl chloride, 5-(4-methylphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Furancarbonyl chloride, 5-(4-methylphenyl)-
- 5-(4-methylphenyl)furan-2-carbonyl chloride
- 60336-00-7
- DTXSID70483967
-
- Inchi： 1S/C12H9ClO2/c1-8-2-4-9(5-3-8)10-6-7-11(15-10)12(13)14/h2-7H,1H3
- InChI Key： BCSYSMPRAHURGP-UHFFFAOYSA-N
- SMILES： ClC(C1=CC=C(C2C=CC(C)=CC=2)O1)=O
Computed Properties
- Exact Mass: 220.02917
- Monoisotopic Mass: 220.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 234
- 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: 3.9
- Topological Polar Surface Area: 30.2?2
Experimental Properties
- PSA: 30.21
2-Furancarbonyl chloride, 5-(4-methylphenyl)- Related Literature
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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