Cas no 72563-47-4 (Benzoyl chloride,3-(1-oxopropyl)-)
72563-47-4 structure
Product Name:Benzoyl chloride,3-(1-oxopropyl)-
CAS No:72563-47-4
MF:C10H9ClO2
MW:196.630262136459
CID:549786
PubChem ID:13851486
Update Time:2025-04-19
Benzoyl chloride,3-(1-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoyl chloride,3-(1-oxopropyl)-
- 3-Propionylbenzoylchloride
- 3-propanoylbenzoyl chloride
- Benzoyl chloride, 3-(1-oxopropyl)- (9CI)
- Benzoyl chloride,3-(1-oxopropyl)-(9ci)
- DTXSID50551219
- 72563-47-4
-
- Inchi： 1S/C10H9ClO2/c1-2-9(12)7-4-3-5-8(6-7)10(11)13/h3-6H,2H2,1H3
- InChI Key： LRKNHTBZTCHJQJ-UHFFFAOYSA-N
- SMILES： ClC(C1=CC=CC(=C1)C(CC)=O)=O
Computed Properties
- Exact Mass: 196.02917
- Monoisotopic Mass: 196.0291072g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 213
- 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
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
Benzoyl chloride,3-(1-oxopropyl)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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